Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 17/20 | 1.00 |
| ▸ | CCND1 | P24385 | 11/20 | 1.00 |
| ▸ | CDK4 | P11802 | 5/20 | 0.83 |
| ▸ | CCND3 | P30281 | 3/20 | 0.83 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.69 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.60 |
| ▸ | CSF1R | P07333 | 1/20 | 0.60 |
| ▸ | CDK2 | P24941 | 1/20 | 0.60 |
| ▸ | CDK1 | P06493 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL29896804 | 1.00 | CDK6 (1.00) | CDK6CCND1CDK4CCND3DYRK2 | |
| SCHEMBL28600816 | 0.91 | CDK6 (1.00) | CDK6CCND1CDK4CCND3DYRK2 | |
| SCHEMBL29896930 | 0.91 | CDK6 (1.00) | CDK6CCND1CDK4CCND3DYRK2 | |
| Hydrochloric Acid SCHEMBL29896861 | 0.86 | CDK6 (0.98) | CDK6CCND1CDK4CCND3DYRK2 | |
| Hydrochloric Acid SCHEMBL28617901 | 0.86 | CDK6 (0.98) | CDK6CCND1CDK4CCND3DYRK2 | |
| SCHEMBL28592563 | 0.85 | CDK6 (1.00) | CDK6CCND1CDK4CCND3DYRK2 | |
| SCHEMBL29414498 | 0.85 | CDK6 (1.00) | CDK6CCND1CDK4CCND3DYRK2 | |
| SCHEMBL28595397 | 0.84 | CDK6 (1.00) | CDK6CCND1CDK4CCND3DYRK2 | |
| SCHEMBL29414464 | 0.84 | CDK6 (1.00) | CDK6CCND1CDK4CCND3DYRK2 | |
| SCHEMBL29754496 | 0.83 | DYRK2 (0.83) | CDK6CCND1CDK4CCND3DYRK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113264920-B | CDK6 inhibitor of pyrimidine benzo six-membered ring parent nucleus and preparation method and application thereof | 中国药科大学 | 2022-09-02 | — | — | CN | disclosed |
| CN-113264920-A | CDK6 inhibitor of pyrimidine benzo six-membered ring parent nucleus and preparation method and application thereof | 中国药科大学 | 2021-08-17 | — | — | CN | disclosed |