Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 0.63 |
| ▸ | CDK6 | Q00534 | 20/20 | 0.63 |
| ▸ | CDK2 | P24941 | 18/20 | 0.63 |
| ▸ | CDK1 | P06493 | 4/20 | 0.63 |
| ▸ | CDK7 | P50613 | 4/20 | 0.63 |
| ▸ | CDK9 | P50750 | 4/20 | 0.63 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.61 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.59 |
| ▸ | CSF1R | P07333 | 2/20 | 0.59 |
| ▸ | CCND3 | P30281 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL19966570 | 0.84 | CDK4 (0.65) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL20356501 | 0.80 | CDK4 (0.67) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL20356494 | 0.80 | CDK4 (0.63) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL19966658 | 0.79 | CDK6 (0.64) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL19966508 | 0.79 | CDK4 (0.77) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL19966655 | 0.79 | CDK6 (0.64) | CDK4CDK6CDK2CDK1CDK9 | |
| SCHEMBL19966557 | 0.79 | CDK4 (0.72) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL19966332 | 0.79 | CDK6 (0.57) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL17477259 | 0.77 | CDK4 (1.00) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL20548734 | 0.77 | CDK4 (0.77) | CDK4CDK6CDK2CDK1CDK7 |
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 |