Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 14/20 | 0.48 |
| ▸ | CCND1 | P24385 | 6/20 | 0.48 |
| ▸ | CDK4 | P11802 | 2/20 | 0.48 |
| ▸ | CDK2 | P24941 | 4/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 3/20 | 0.46 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.44 |
| ▸ | CDK1 | P06493 | 3/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL19966652 | 0.89 | CDK6 (0.52) | CDK6CCND1CDK4CDK2CDK5 | |
| SCHEMBL19966576 | 0.89 | CDK6 (0.52) | CDK6CCND1CDK4CDK2CDK5 | |
| SCHEMBL19966574 | 0.88 | CDK6 (0.52) | CDK6CCND1CDK4CDK2CDK5 | |
| SCHEMBL19966594 | 0.88 | CDK6 (0.52) | CDK6CCND1CDK4CDK2CDK5 | |
| SCHEMBL19966531 | 0.86 | CDK6 (0.49) | CDK6CCND1CDK4CDK2CDK5 | |
| SCHEMBL19966600 | 0.86 | CDK6 (0.49) | CDK6CCND1CDK4CDK2CDK5 | |
| SCHEMBL19966459 | 0.86 | CDK6 (0.62) | CDK6CCND1CDK4PIM1DYRK2 | |
| SCHEMBL19966595 | 0.85 | CDK6 (0.52) | CDK6CCND1CDK4CDK2CDK5 | |
| SCHEMBL19966598 | 0.85 | CDK6 (0.48) | CDK6CCND1CDK4CDK2CDK5 | |
| SCHEMBL19966528 | 0.85 | CDK6 (0.53) | CDK6CCND1CDK4CDK2CDK5 |
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-2018045957-A1 | CDK4/6 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 | 2018-03-15 | — | — | WO | disclosed |