Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 0.47 |
| ▸ | CDK6 | Q00534 | 16/20 | 0.47 |
| ▸ | CCND3 | P30281 | 12/20 | 0.47 |
| ▸ | CCND1 | P24385 | 11/20 | 0.47 |
| ▸ | CDK2 | P24941 | 6/20 | 0.47 |
| ▸ | CDK1 | P06493 | 3/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.43 |
| ▸ | CDK7 | P50613 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23749547 | 1.00 | CDK4 (0.47) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL22129323 | 0.89 | CDK4 (0.49) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL22129294 | 0.89 | CDK4 (0.49) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL29669654 | 0.84 | CDK4 (0.55) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL2514899 | 0.84 | CDK4 (0.55) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL21522745 | 0.77 | CDK4 (0.54) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL30888974 | 0.77 | CDK4 (0.54) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL19836272 | 0.76 | CDK4 (0.51) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL19836706 | 0.76 | CDK4 (0.54) | CDK4CDK6CCND3CCND1CDK2 | |
| SCHEMBL22129327 | 0.76 | CDK4 (0.43) | CDK4CDK6CCND3CCND1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3865488-A1 | MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE | Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) | 2021-08-18 | — | — | EP | disclosed |