Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 16/20 | 0.72 |
| ▸ | CCND1 | P24385 | 12/20 | 0.72 |
| ▸ | CDK4 | P11802 | 5/20 | 0.68 |
| ▸ | CCND3 | P30281 | 2/20 | 0.68 |
| ▸ | DYRK2 | Q92630 | 4/20 | 0.57 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.54 |
| ▸ | CSF1R | P07333 | 1/20 | 0.54 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL31329897 | 0.86 | CDK6 (0.63) | CDK6CCND1CDK4CCND3DYRK2 | |
| SCHEMBL28610126 | 0.84 | CDK6 (1.00) | CDK6CCND1CDK4CCND3PIM1 | |
| SCHEMBL29896876 | 0.84 | CDK6 (1.00) | CDK6CCND1CDK4CCND3PIM1 | |
| SCHEMBL24483228 | 0.84 | DYRK2 (0.60) | CDK6CCND1CDK4DYRK2PIK3CD | |
| SCHEMBL29684290 | 0.84 | DYRK2 (0.60) | CDK6CCND1CDK4DYRK2PIK3CD | |
| SCHEMBL26447886 | 0.83 | DYRK2 (0.81) | CDK6DYRK2PIM1 | |
| SCHEMBL30569706 | 0.83 | DYRK2 (0.81) | CDK6DYRK2PIM1 | |
| SCHEMBL28597350 | 0.83 | CDK6 (0.70) | CDK6CCND1CDK4DYRK2PIM1 | |
| SCHEMBL28619511 | 0.82 | CDK6 (0.69) | CDK6CCND1CDK4CCND3PIK3CD | |
| SCHEMBL21245866 | 0.82 | CDK4 (0.72) | CDK6CDK4DYRK2PIK3CDCSF1R |
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 |