Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCND1 | P24385 | 15/20 | 0.61 |
| ▸ | CDK6 | Q00534 | 15/20 | 0.61 |
| ▸ | CDK4 | P11802 | 2/20 | 0.61 |
| ▸ | CCND3 | P30281 | 2/20 | 0.61 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28585099 | 0.79 | CDK6 (0.58) | CCND1CDK6CDK4 | |
| SCHEMBL28604407 | 0.77 | CDK6 (0.60) | CCND1CDK6CDK4 | |
| SCHEMBL29896876 | 0.76 | CDK6 (1.00) | CCND1CDK6CDK4CCND3 | |
| SCHEMBL28610126 | 0.76 | CDK6 (1.00) | CCND1CDK6CDK4CCND3 | |
| Hydrochloric Acid SCHEMBL28600803 | 0.76 | CDK6 (0.98) | CCND1CDK6CDK4CCND3 | |
| Hydrochloric Acid SCHEMBL29896942 | 0.76 | CDK6 (0.98) | CCND1CDK6CDK4CCND3 | |
| SCHEMBL28515668 | 0.75 | DYRK2 (0.56) | — | |
| SCHEMBL29230283 | 0.75 | DYRK2 (0.60) | — | |
| SCHEMBL28591501 | 0.75 | CDK6 (0.70) | CCND1CDK6CDK4CCND3 | |
| SCHEMBL28521145 | 0.74 | DYRK2 (0.61) | CDK6 |
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 |