⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20016767 | 1.00 | — | — | |
| SCHEMBL22142575 | 0.81 | — | — | |
| SCHEMBL20124488 | 0.76 | — | — | |
| SCHEMBL8136257 | 0.71 | — | — | |
| SCHEMBL22778479 | 0.71 | — | — | |
| SCHEMBL31209190 | 0.71 | — | — | |
| SCHEMBL20990284 | 0.71 | — | — | |
| SCHEMBL24099881 | 0.69 | — | — | |
| SCHEMBL22142581 | 0.69 | — | — | |
| SCHEMBL22142408 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3107914-B1 | PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE | CANCER RESEARCH TECH LTD (GB) | 2019-01-30 | — | — | EP | disclosed |
| 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 |