⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29770951 | 1.00 | — | — | |
| SCHEMBL23657123 | 1.00 | — | — | |
| SCHEMBL26117676 | 0.82 | KDM1A (0.40) | — | |
| SCHEMBL30341622 | 0.82 | KDM1A (0.40) | — | |
| SCHEMBL28779240 | 0.82 | KDM1A (0.40) | — | |
| SCHEMBL24183305 | 0.82 | KDM1A (0.40) | — | |
| SCHEMBL29770988 | 0.82 | KDM1A (0.40) | — | |
| SCHEMBL22770455 | 0.81 | PTPN11 (0.33) | — | |
| SCHEMBL22770454 | 0.81 | PTPN11 (0.33) | — | |
| SCHEMBL22495601 | 0.81 | PTPN11 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113646049-B | Pyrimidinone derivatives as SHP2 antagonists | 默克专利有限公司 | 2024-08-13 | — | — | CN | disclosed |
| CN-114761394-B | Pyridine or pyrimidine derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-03-29 | — | — | CN | disclosed |
| US-11702392-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2023-07-18 | — | — | US | disclosed |
| US-11702392-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2023-07-18 | — | — | US | disclosed |
| US-11702392-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2023-07-18 | — | — | US | disclosed |
| CN-115916765-A | Pyridine or pyrimidine derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-114761394-A | Pyridine or pyrimidine derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2022-07-15 | — | — | CN | disclosed |
| WO-2022089406-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海青煜医药科技有限公司 | 2022-05-05 | — | — | WO | disclosed |
| EP-3952998-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | Merck Patent GmbH (DE) | 2022-02-16 | — | — | EP | disclosed |
| CN-113646049-A | Pyrimidone derivatives as SHP2 antagonists | 默克专利有限公司 | 2021-11-12 | — | — | CN | disclosed |
| US-20210179565-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | MERCK PATENT GMBH (DE) | 2021-06-17 | — | — | US | disclosed |
| US-20210179565-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | MERCK PATENT GMBH (DE) | 2021-06-17 | — | — | US | disclosed |
| US-11001561-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2021-05-11 | — | — | US | disclosed |
| US-11001561-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2021-05-11 | — | — | US | disclosed |
| WO-2020210384-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | MERCK PATENT GMBH (DE) | 2020-10-15 | — | — | WO | disclosed |
| WO-2020210384-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | MERCK PATENT GMBH (DE) | 2020-10-15 | — | — | WO | disclosed |
| US-20200317622-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | EMD SERONO RESEARCH AND DEVELOPMENT, INC. | 2020-10-08 | — | — | US | disclosed |
| US-20200317622-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | EMD SERONO RESEARCH AND DEVELOPMENT, INC. | 2020-10-08 | — | — | US | disclosed |