Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 10/20 | 0.39 |
| ▸ | KDR | P35968 | 4/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.39 |
| ▸ | STK17B | O94768 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5670409 | 0.76 | RPS6KB1 (0.48) | AURKARPS6KB1HRH3 | |
| SCHEMBL22118770 | 0.75 | BRD4 (0.40) | — | |
| SCHEMBL5437606 | 0.75 | MKNK1 (0.38) | — | |
| SCHEMBL29654971 | 0.75 | BRD4 (0.40) | — | |
| Hydrochloric Acid SCHEMBL1748687 | 0.74 | RPS6KB1 (0.47) | AURKARPS6KB1HRH3 | |
| SCHEMBL536914 | 0.73 | BRAF (0.47) | — | |
| SCHEMBL24834666 | 0.71 | ULK1 (0.47) | ULK1GSK3BDYRK1AABL1 | |
| SCHEMBL28164595 | 0.71 | BRD4 (0.39) | KDR | |
| SCHEMBL22515510 | 0.70 | FLT3 (0.43) | ULK1GSK3BAURKADYRK1AABL1 | |
| SCHEMBL67930 | 0.70 | JAK3 (0.39) | — |
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-1812003-A1 | ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS | Astex Therapeutics Limited (GB) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006046023-A1 | ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-05-04 | — | — | WO | disclosed |