Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 15/20 | 1.00 |
| ▸ | DYRK2 | Q92630 | 5/20 | 0.77 |
| ▸ | CCND3 | P30281 | 8/20 | 0.71 |
| ▸ | CCND1 | P24385 | 6/20 | 0.71 |
| ▸ | CDK4 | P11802 | 6/20 | 0.71 |
| ▸ | CDK1 | P06493 | 5/20 | 0.68 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.68 |
| ▸ | CCNE2 | O96020 | 4/20 | 0.68 |
| ▸ | CDK2 | P24941 | 4/20 | 0.68 |
| ▸ | PIM1 | P11309 | 2/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL28591508 | 1.00 | CDK6 (1.00) | CDK6DYRK2CCND3CCND1CDK4 | |
| SCHEMBL28595397 | 0.91 | CDK6 (1.00) | CDK6DYRK2CCND3CCND1CDK4 | |
| SCHEMBL29414464 | 0.91 | CDK6 (1.00) | CDK6DYRK2CCND3CCND1CDK4 | |
| SCHEMBL29379886 | 0.90 | CDK6 (0.82) | CDK6DYRK2CCND3CCND1CDK4 | |
| SCHEMBL28595830 | 0.90 | CDK6 (0.82) | CDK6DYRK2CCND3CCND1CDK4 | |
| Hydrochloric Acid SCHEMBL28592444 | 0.90 | CDK6 (0.81) | CDK6DYRK2CCND3CCND1CDK4 | |
| Hydrochloric Acid SCHEMBL29414470 | 0.90 | CDK6 (0.81) | CDK6DYRK2CCND3CCND1CDK4 | |
| SCHEMBL26447899 | 0.87 | DYRK2 (1.00) | CDK6DYRK2CCND3CCND1CDK4 | |
| SCHEMBL32677350 | 0.87 | DYRK2 (1.00) | CDK6DYRK2CCND3CCND1CDK4 | |
| SCHEMBL29754375 | 0.87 | DYRK2 (0.87) | CDK6DYRK2CCND3CCND1CDK4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113135898-B | Anticancer quinoxaline pyrimidine amine heterocyclic compound and preparation method and application thereof | 中国药科大学 | 2022-02-11 | — | — | CN | disclosed |