⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24378838 | 0.93 | GSK3A (0.31) | — | |
| SCHEMBL22600701 | 0.83 | NPC1 (0.32) | — | |
| SCHEMBL22600553 | 0.79 | HRH4 (0.35) | — | |
| SCHEMBL22600706 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL24378845 | 0.77 | HRH4 (0.30) | — | |
| SCHEMBL22600592 | 0.77 | PARP14 (0.38) | — | |
| SCHEMBL29592633 | 0.72 | — | — | |
| SCHEMBL26623643 | 0.72 | — | — | |
| SCHEMBL21379233 | 0.72 | — | — | |
| SCHEMBL22600573 | 0.72 | PARP14 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3967695-B1 | 1-(7-(QUINAZOLIN-4-YL)-2,7-DIAZASPIRO[3.5]NONAN-2-YL)PROP-2-EN-1-ONE DERIVATIVES AS KRAS INHIBITORS FOR THE TREATMENT OF CANCER | BETTA PHARMACEUTICALS CO LTD (CN) | 2024-01-17 | — | — | EP | disclosed |
| US-20230219956-A1 | QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | BETTA PHARMACEUTICALS CO.,LTD (CN) | 2023-07-13 | — | — | US | disclosed |
| US-20230219956-A1 | QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | BETTA PHARMACEUTICALS CO.,LTD (CN) | 2023-07-13 | — | — | US | disclosed |
| WO-2022083616-A1 | QUINAZOLINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | 贝达药业股份有限公司 | 2022-04-28 | — | — | WO | disclosed |
| WO-2020216190-A1 | QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | 贝达药业股份有限公司 | 2020-10-29 | — | — | WO | disclosed |