⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21277010 | 0.73 | — | — | |
| SCHEMBL18934515 | 0.73 | — | — | |
| SCHEMBL14733451 | 0.71 | — | — | |
| SCHEMBL5707300 | 0.71 | — | — | |
| SCHEMBL19423112 | 0.68 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL14541547 | 0.68 | — | — | |
| SCHEMBL12501373 | 0.67 | — | — | |
| SCHEMBL10280973 | 0.67 | — | — | |
| SCHEMBL1246645 | 0.62 | — | — | |
| SCHEMBL11704730 | 0.59 | SLC2A1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022187693-A1 | COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES | UMBRA THERAPEUTICS INC. (US) | 2022-09-09 | — | — | WO | disclosed |
| WO-2008130570-A1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORPORATION (US) | 2008-10-30 | — | — | WO | disclosed |
| WO-2008130569-A1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORPORATION (US) | 2008-10-30 | — | — | WO | disclosed |
| WO-2007044449-A2 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORPORATION (US) | 2007-04-19 | — | — | WO | disclosed |