Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.69 |
| ▸ | CDK2 | P24941 | 3/20 | 0.69 |
| ▸ | CDK9 | P50750 | 3/20 | 0.69 |
| ▸ | CDK3 | Q00526 | 3/20 | 0.69 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.69 |
| ▸ | GSK3A | P49840 | 2/20 | 0.69 |
| ▸ | GSK3B | P49841 | 2/20 | 0.69 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.69 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.69 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.69 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.69 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.69 |
| ▸ | PIK3C3 | Q8NEB9 | 12/20 | 0.54 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30879526 | 0.89 | CDK1 (0.62) | CDK1CDK2CDK9CDK3CDK5 | |
| SCHEMBL12485925 | 0.88 | CDK1 (0.59) | CDK1CDK2CDK9CDK3CDK5 | |
| SCHEMBL2383682 | 0.87 | CDK9 (0.63) | CDK1CDK2CDK9CDK3CDK5 | |
| SCHEMBL25082023 | 0.85 | CDK9 (0.78) | CDK1CDK2CDK9CDK3CDK5 | |
| SCHEMBL2381619 | 0.85 | CDK9 (0.79) | CDK1CDK2CDK9CDK3CDK5 | |
| SCHEMBL2380941 | 0.84 | CDK9 (0.77) | CDK1CDK2CDK9CDK3CDK5 | |
| SCHEMBL2380875 | 0.83 | GSK3B (0.72) | CDK1CDK2CDK9CDK3CDK5 | |
| SCHEMBL16863827 | 0.82 | CDK9 (1.00) | CDK1CDK2CDK9CDK3CDK5 | |
| SCHEMBL2370461 | 0.82 | CDK9 (1.00) | CDK1CDK2CDK9CDK3CDK5 | |
| SCHEMBL2401909 | 0.82 | CDK9 (1.00) | CDK1CDK2CDK9CDK3CDK5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2545037-A1 | INHIBITORS OF PROTEIN KINASES | Ingenium Pharmaceuticals GmbH (DE) | 2013-01-16 | — | — | EP | claimed |
| WO-2011110612-A1 | INHIBITORS OF PROTEIN KINASES | INGENIUM PHARMACEUTICALS GMBH (DE) | 2011-09-15 | — | — | WO | claimed |
| EP-2545037-A1 | INHIBITORS OF PROTEIN KINASES | Ingenium Pharmaceuticals GmbH (DE) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011110612-A1 | INHIBITORS OF PROTEIN KINASES | INGENIUM PHARMACEUTICALS GMBH (DE) | 2011-09-15 | — | — | WO | disclosed |