Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 18/20 | 0.61 |
| ▸ | CDK6 | Q00534 | 18/20 | 0.61 |
| ▸ | CCND3 | P30281 | 9/20 | 0.54 |
| ▸ | CDK1 | P06493 | 9/20 | 0.54 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.54 |
| ▸ | CDK2 | P24941 | 11/20 | 0.52 |
| ▸ | CDK7 | P50613 | 4/20 | 0.51 |
| ▸ | CDK9 | P50750 | 4/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.51 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17488719 | 0.89 | CDK4 (0.66) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL19966387 | 0.87 | CDK6 (0.69) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL19966385 | 0.81 | CDK4 (0.71) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL19966512 | 0.81 | CDK6 (0.66) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL19966523 | 0.80 | CDK4 (0.72) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL19966517 | 0.79 | CDK4 (0.82) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL19966658 | 0.78 | CDK6 (0.64) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL22650945 | 0.77 | CDK6 (0.60) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL19966521 | 0.76 | CDK4 (0.51) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL17488831 | 0.76 | CDK6 (0.69) | CDK4CDK6CCND3CDK1CCNA2 |
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 |