Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 20/20 | 1.00 |
| ▸ | CCND1 | P24385 | 14/20 | 1.00 |
| ▸ | CCND3 | P30281 | 11/20 | 0.80 |
| ▸ | CDK4 | P11802 | 10/20 | 0.80 |
| ▸ | CDK1 | P06493 | 7/20 | 0.63 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.63 |
| ▸ | CDK2 | P24941 | 6/20 | 0.63 |
| ▸ | CCNE2 | O96020 | 5/20 | 0.63 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.58 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.58 |
| ▸ | CDK7 | P50613 | 1/20 | 0.58 |
| ▸ | CDK9 | P50750 | 1/20 | 0.58 |
| ▸ | CCNH | P51946 | 1/20 | 0.58 |
| ▸ | PIM1 | P11309 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29896876 | 1.00 | CDK6 (1.00) | CDK6CCND1CCND3CDK4CDK1 | |
| Hydrochloric Acid SCHEMBL29896942 | 0.88 | CDK6 (0.98) | CDK6CCND1CCND3CDK4CDK1 | |
| Hydrochloric Acid SCHEMBL28600803 | 0.88 | CDK6 (0.98) | CDK6CCND1CCND3CDK4CDK1 | |
| SCHEMBL28619505 | 0.84 | CDK6 (0.72) | CDK6CCND1CCND3CDK4PIM1 | |
| SCHEMBL28619511 | 0.82 | CDK6 (0.69) | CDK6CCND1CCND3CDK4 | |
| SCHEMBL24482654 | 0.81 | CDK6 (0.68) | CDK6CCND1CCND3CDK4CDK1 | |
| SCHEMBL29683938 | 0.81 | CDK6 (0.68) | CDK6CCND1CCND3CDK4CDK1 | |
| Hydrochloric Acid SCHEMBL29684380 | 0.80 | CDK6 (0.67) | CDK6CCND1CCND3CDK4CDK1 | |
| SCHEMBL31329897 | 0.79 | CDK6 (0.63) | CDK6CCND1CCND3CDK4CDK1 | |
| SCHEMBL28600816 | 0.78 | CDK6 (1.00) | CDK6CCND1CCND3CDK4CDK1 |
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 |