公开(公告)号：US20240300958A1

公开(公告)日：2024-09-12

申请号：US18599116

申请日：2024-03-07

Applicant: BEIJING YOUZHUJU NETWORK TECHNOLOGY CO. LTD. ,  Lemon Inc.

Inventor： Yuwei Yang ,  Hao Zhou

IPC: C07D487/04 ,  A61K31/5025 ,  A61P11/00 ,  A61P35/00

CPC classification number: C07D487/04 ,  A61K31/5025 ,  A61P11/00 ,  A61P35/00

Abstract: The present invention provides a compound which is the compound represented by Formula A or a pharmaceutically acceptable salt thereof. The present invention further provides a pharmaceutical composition comprising the compound as described above and at least one pharmaceutically acceptable excipient. The present invention further provides the use of the compound as described above in the manufacture of a medicament for the treatment of at least one of inflammation, fibrotic disease and cancer. With the above aspects, the present invention provides a DDR1 inhibitor having both high inhibitory activity and high selectivity, and thus provides a novel solution for the treatment of DDR1-related diseases.

公开(公告)号：US20250157594A1

公开(公告)日：2025-05-15

申请号：US18839008

申请日：2023-02-08

Applicant: Beijing Youzhuju Network Technology Co., Ltd. ,  Lemon Inc.

Inventor： Yuwei Yang ,  Jiarui Lu ,  Shuo Zhang ,  Hao Zhou

IPC: G16C20/50 ,  G16B15/30 ,  G16C20/40 ,  G16C20/70

Abstract: According to embodiments of the present disclosure, a method, apparatus, device, storage medium, and program product for designing ligand molecules are provided. The method described herein comprises: editing a first 2D molecular structure to determine a second 2D molecular structure, the editing at least comprising: deleting a 2D structural fragment from the first 2D molecular structure, or adding a 2D structural fragment to the first 2D molecular structure; determining a set of candidate 3D molecular structures corresponding to the second 2D molecular structure based on a first 3D molecular structure corresponding to the first 2D molecular structure and the editing; determining a second 3D molecular structure corresponding to the second 2D molecular structure based on a binding capacity between the set of candidate 3D molecular structures and a target molecule; and determining a target structure of a ligand molecule for the target molecule based on the second 3D molecular structure. According to embodiments of the present disclosure, the generation of subsequent 3D molecular structures can be constrained based on the 3D molecular structure of the previous state, thereby improving the efficiency of designing ligand molecules.