⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17038687 | 0.93 | ALDH1A1 (0.43) | — | |
| SCHEMBL7710653 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL8820148 | 0.89 | — | — | |
| Dimethylamine SCHEMBL9453484 | 0.82 | CHRM2 (0.31) | — | |
| SCHEMBL300703 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL15017471 | 0.77 | — | — | |
| SCHEMBL7619160 | 0.77 | CXCR4 (0.47) | — | |
| SCHEMBL2055336 | 0.69 | — | — | |
| SCHEMBL101997 | 0.67 | — | — | |
| SCHEMBL24481218 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4262807-A1 | AZAQUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2023-10-25 | — | — | EP | disclosed |
| CN-116829151-A | Azaquinazoline pan KRAS inhibitors | 米拉蒂治疗股份有限公司 | 2023-09-29 | — | — | CN | disclosed |
| WO-2022132200-A1 | AZAQUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-06-23 | — | — | WO | disclosed |