Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCAF1 | Q9Y4B6 | 12/20 | 0.45 |
| ▸ | ITK | Q08881 | 2/20 | 0.44 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | CCKAR | P32238 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5756905 | 0.86 | BRD4 (0.45) | DCAF1ITKBRD4CCNE1CDK2 | |
| SCHEMBL5753389 | 0.85 | ITK (0.44) | DCAF1ITKBRD4CCNE1CDK2 | |
| SCHEMBL5755243 | 0.84 | ITK (0.46) | ITKBRD4 | |
| SCHEMBL5756565 | 0.83 | ITK (0.46) | DCAF1ITKBRD4CCNE1CDK2 | |
| SCHEMBL6478196 | 0.83 | KDM4E (0.55) | ITKBRD4CCNE1CDK2GSK3B | |
| SCHEMBL5752698 | 0.82 | HSP90AA1 (0.55) | ITKROCK2 | |
| SCHEMBL5759232 | 0.81 | ITK (0.49) | ITKBRD4CCNE1CDK2GSK3B | |
| SCHEMBL5756205 | 0.81 | KDM4E (0.47) | ITKBRD4CCNE1CDK2GSK3B | |
| SCHEMBL6488207 | 0.81 | ALDH1A1 (0.49) | ITKBRD4CCNE1CDK2GSK3B | |
| SCHEMBL5754202 | 0.80 | CHEK1 (0.46) | DCAF1ITKBRD4GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1648884-A2 | PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005005414-A2 | PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA S.P.A. (IT) | 2005-01-20 | — | — | WO | disclosed |