⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23308473 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL9004468 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL19295449 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL24782770 | 0.68 | KMT2A (0.30) | — | |
| SCHEMBL22984889 | 0.68 | — | — | |
| SCHEMBL19177095 | 0.66 | — | — | |
| SCHEMBL25766404 | 0.65 | — | — | |
| SCHEMBL21371032 | 0.64 | ATM (0.38) | — | |
| SCHEMBL19912764 | 0.63 | AKT1 (0.44) | — | |
| SCHEMBL21891953 | 0.62 | ATM (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11186576-B2 | Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2021-11-30 | — | — | US | disclosed |
| US-20180057497-A1 | Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2018-03-01 | — | — | US | disclosed |