Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 15/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 7/20 | 0.41 |
| ▸ | CCND1 | P24385 | 6/20 | 0.41 |
| ▸ | CDK1 | P06493 | 5/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | CCND3 | P30281 | 7/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.40 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20744900 | 0.88 | CNR2 (0.42) | CDK6CNR2CDK4CCND1CDK1 | |
| SCHEMBL20744010 | 0.85 | CDK1 (0.44) | CDK6CNR2CDK4CCND1CDK1 | |
| SCHEMBL20744431 | 0.84 | CCND1 (0.55) | CDK6CDK4CCND1CDK1CDK2 | |
| SCHEMBL20744436 | 0.82 | TLR7 (0.40) | CDK6CNR2CDK4CCND1CDK1 | |
| SCHEMBL20744419 | 0.80 | CDK6 (0.49) | CDK6CDK4CCND1CDK1CDK2 | |
| SCHEMBL30579744 | 0.79 | CDK6 (0.58) | CDK6CDK4CCND1CDK1CDK2 | |
| SCHEMBL20744519 | 0.79 | CDK6 (0.58) | CDK6CDK4CCND1CDK1CDK2 | |
| SCHEMBL20744517 | 0.77 | CDK6 (0.57) | CDK6CDK4CCND1CDK1CDK2 | |
| SCHEMBL29414480 | 0.76 | CDK6 (0.61) | CDK6CDK4CCND1CDK1CDK2 | |
| SCHEMBL20750918 | 0.73 | CCND1 (0.42) | CDK6CNR2CDK4CCND1CDK2 |
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-2019035008-A1 | CDK4/6 INHIBITORS AND USE THEREOF | BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) | 2019-02-21 | — | — | WO | disclosed |