⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25959785 | 0.97 | DNM1 (0.60) | — | |
| SCHEMBL25997531 | 0.97 | DNM1 (0.60) | — | |
| SCHEMBL21335359 | 0.97 | DNM1 (0.60) | — | |
| SCHEMBL16181503 | 0.97 | DNM1 (0.60) | — | |
| SCHEMBL20673566 | 0.97 | DNM1 (0.60) | — | |
| SCHEMBL25095023 | 0.97 | DNM1 (0.60) | — | |
| SCHEMBL15760055 | 0.90 | — | — | |
| SCHEMBL22595381 | 0.79 | — | — | |
| SCHEMBL20272961 | 0.78 | DNM1 (0.50) | — | |
| SCHEMBL561042 | 0.78 | — | — |
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-4006035-A1 | QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | Neupharma, Inc. (US) | 2022-06-01 | — | — | EP | disclosed |
| EP-3497087-B1 | PYRROLO[1,2-C]PYRIMIDINE, IMIDAZO[1,5-C]PYRIMIDINE, QUINAZOLINE, PURINE AND IMIDAZO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | NEUPHARMA INC (US) | 2021-11-10 | — | — | EP | disclosed |
| EP-2872514-B1 | IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-08-30 | — | — | EP | disclosed |