⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21631653 | 1.00 | — | — | |
| SCHEMBL23002557 | 0.81 | USP2 (0.45) | — | |
| SCHEMBL18330214 | 0.81 | USP2 (0.45) | — | |
| SCHEMBL16914257 | 0.81 | USP2 (0.45) | — | |
| SCHEMBL22799087 | 0.80 | — | — | |
| SCHEMBL22799101 | 0.80 | — | — | |
| SCHEMBL21952183 | 0.80 | — | — | |
| SCHEMBL16914102 | 0.75 | NAMPT (0.33) | — | |
| SCHEMBL25785481 | 0.73 | APAF1 (0.34) | — | |
| SCHEMBL25515504 | 0.73 | APAF1 (0.34) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3753941-B1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | SHANGHAI BLUERAY BIOPHARMA CO LTD (CN) | 2024-05-01 | — | — | EP | disclosed |
| EP-4263550-A1 | PROCESS FOR PREPARING SHP2 INHIBITORS | Genzyme Corporation (US) | 2023-10-25 | — | — | EP | disclosed |
| WO-2023192112-A1 | PROCESS FOR PREPARING SHP2 INHIBITORS | GENZYME CORPORATION (US) | 2023-10-05 | — | — | WO | disclosed |
| US-20230219946-A1 | PYRIMIDIN-4(3H)-ONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF | BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) | 2023-07-13 | — | — | US | disclosed |
| EP-4092024-A1 | PYRIMIDINE-4(3H)-KETONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE AND PHARMACOLOGY | Beijing InnoCare Pharma Tech Co., Ltd. (CN) | 2022-11-23 | — | — | EP | disclosed |
| US-11498930-B2 | Pyrimidine-fused cyclic compound, preparation method therefor and application thereof | Blueray Therapeutics (Shanghai) Co., Ltd (CN) | 2022-11-15 | — | — | US | disclosed |
| WO-2022133217-A1 | PROCESS FOR PREPARING SHP2 INHIBITORS | GENZYME CORPORATION (US) | 2022-06-23 | — | — | WO | disclosed |
| US-20210053989-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) | 2021-02-25 | — | — | US | disclosed |
| EP-3310771-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | Novartis AG (CH) | 2018-04-25 | — | — | EP | disclosed |
| EP-3310774-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | Novartis AG (CH) | 2018-04-25 | — | — | EP | disclosed |
| WO-2016203405-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2016-12-22 | — | — | WO | disclosed |
| WO-2016203406-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2016-12-22 | — | — | WO | disclosed |
| EP-3094628-A1 | N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | Novartis AG (CH) | 2016-11-23 | — | — | EP | disclosed |
| WO-2015107495-A1 | N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2015-07-23 | — | — | WO | disclosed |