⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22943350 | 0.74 | — | — | |
| SCHEMBL25762009 | 0.71 | — | — | |
| SCHEMBL22943249 | 0.70 | — | — | |
| SCHEMBL25833548 | 0.70 | — | — | |
| SCHEMBL20820861 | 0.69 | — | — | |
| SCHEMBL17031431 | 0.67 | — | — | |
| SCHEMBL10258023 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL11644216 | 0.64 | — | — | |
| SCHEMBL11644214 | 0.64 | — | — | |
| SCHEMBL12669616 | 0.64 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230212164-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-07-06 | — | — | US | disclosed |
| US-20230212164-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-07-06 | — | — | US | disclosed |
| WO-2022135470-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 | 2022-06-30 | — | — | WO | disclosed |
| WO-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |
| US-11021470-B2 | 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof | ARAXES PHARMA LLC (US) | 2021-06-01 | — | — | US | disclosed |
| US-20200181123-A1 | 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF | ARAXES PHARMA LLC | 2020-06-11 | — | — | US | disclosed |
| US-10377743-B2 | Inhibitors of RAS and methods of use thereof | ARAXES PHARMA LLC (US) | 2019-08-13 | — | — | US | disclosed |
| US-10370386-B2 | Substituted quinolines as inhibitors of KRAS G12C | ARAXES PHARMA LLC (US) | 2019-08-06 | — | — | US | disclosed |
| US-20180127396-A1 | INHIBITORS OF RAS AND METHODS OF USE THEREOF | ARAXES PHARMA LLC | 2018-05-10 | — | — | US | disclosed |
| US-20180118757-A1 | SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C | ARAXES PHARMA LLC | 2018-05-03 | — | — | US | disclosed |