⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23579508 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL25314255 | 0.68 | — | — | |
| SCHEMBL8129234 | 0.65 | — | — | |
| SCHEMBL27546607 | 0.65 | — | — | |
| SCHEMBL25316847 | 0.62 | — | — | |
| SCHEMBL26633641 | 0.61 | KDM4E (0.40) | — | |
| SCHEMBL2941966 | 0.61 | — | — | |
| SCHEMBL19015271 | 0.61 | — | — | |
| SCHEMBL6850307 | 0.61 | — | — | |
| SCHEMBL13343930 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015124941-A1 | PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2015-08-27 | — | — | WO | disclosed |