Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 13/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 4/20 | 0.35 |
| ▸ | CDK6 | Q00534 | 11/20 | 0.34 |
| ▸ | CCND3 | P30281 | 6/20 | 0.34 |
| ▸ | CCND1 | P24385 | 5/20 | 0.34 |
| ▸ | KDR | P35968 | 3/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | HCK | P08631 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30632250 | 0.85 | EGFR (0.38) | CDK4FLT3EGFRCDK6CCND3 | |
| SCHEMBL30039860 | 0.83 | EGFR (0.44) | CDK4FLT3EGFRCDK6CCND3 | |
| SCHEMBL19836581 | 0.83 | EGFR (0.44) | CDK4FLT3EGFRCDK6CCND3 | |
| SCHEMBL19966494 | 0.82 | CDK4 (0.47) | CDK4FLT3SMN1; SMN2PRKD3MAP4K4 | |
| SCHEMBL19966561 | 0.82 | KMO (0.38) | CDK4FLT3EGFRKDRPIK3CD | |
| SCHEMBL19966497 | 0.81 | CDK4 (0.38) | CDK4FLT3EGFRCDK6CCND3 | |
| SCHEMBL19966454 | 0.76 | KMT2A (0.40) | CDK4CDK6CCND3CCND1PIK3CD | |
| SCHEMBL24632941 | 0.75 | CDK4 (0.43) | CDK4CDK6CCND3CCND1KDR | |
| SCHEMBL2514899 | 0.74 | CDK4 (0.55) | CDK4FLT3EGFRCDK6CCND3 | |
| SCHEMBL29669654 | 0.74 | CDK4 (0.55) | CDK4FLT3EGFRCDK6CCND3 |
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 |