Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 17/20 | 0.81 |
| ▸ | GSK3B | P49841 | 16/20 | 0.81 |
| ▸ | AURKB | Q96GD4 | 14/20 | 0.81 |
| ▸ | SRC | P12931 | 9/20 | 0.81 |
| ▸ | AURKC | Q9UQB9 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| SCHEMBL12430555 | 0.90 | AURKA (1.00) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL12430583 | 0.89 | AURKB (0.82) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL12430574 | 0.87 | AURKB (1.00) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL12430597 | 0.86 | AURKB (0.84) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL12430610 | 0.86 | AURKB (0.84) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL12430575 | 0.86 | AURKB (1.00) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL12430584 | 0.86 | AURKA (1.00) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL2203916 | 0.85 | AURKA (0.60) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL12430734 | 0.85 | AURKA (0.73) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL12430563 | 0.85 | AURKA (0.80) | AURKAGSK3BAURKBSRCAURKC |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7982037-B2 | (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-19 | — | — | US | disclosed |
| US-7625913-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-01 | — | — | US | disclosed |
| US-7531536-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-12 | — | — | US | disclosed |