Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 19/20 | 0.69 |
| ▸ | CCND1 | P24385 | 15/20 | 0.69 |
| ▸ | CDK4 | P11802 | 7/20 | 0.64 |
| ▸ | CCND3 | P30281 | 2/20 | 0.64 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.49 |
| ▸ | CSF1R | P07333 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28536123 | 0.83 | CDK4 (0.70) | CDK6CDK4PIK3CDCSF1R | |
| SCHEMBL28619505 | 0.82 | CDK6 (0.72) | CDK6CCND1CDK4CCND3PIK3CD | |
| SCHEMBL28534972 | 0.82 | CDK4 (0.75) | CDK6CDK4PIK3CDCSF1R | |
| SCHEMBL28610126 | 0.82 | CDK6 (1.00) | CDK6CCND1CDK4CCND3 | |
| SCHEMBL29896876 | 0.82 | CDK6 (1.00) | CDK6CCND1CDK4CCND3 | |
| SCHEMBL28536128 | 0.80 | CDK4 (0.72) | CDK6CDK4PIK3CDCSF1R | |
| Hydrochloric Acid SCHEMBL29896942 | 0.78 | CDK6 (0.98) | CDK6CCND1CDK4CCND3PIK3CD | |
| Hydrochloric Acid SCHEMBL28600803 | 0.78 | CDK6 (0.98) | CDK6CCND1CDK4CCND3PIK3CD | |
| SCHEMBL26619856 | 0.75 | CTSC (0.39) | CDK6CCND1CDK4CCND3PIK3CD | |
| SCHEMBL26619999 | 0.73 | BRD4 (0.50) | CDK6CCND3 |
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 |