Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 5/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | MTOR | P42345 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 3/20 | 0.34 |
| ▸ | PRKCA | P17252 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 2/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398616 | 1.00 | JAK3 (0.38) | JAK3IRAK4AOC3SYKMKNK1 | |
| SCHEMBL3396276 | 0.86 | HSP90AA1 (0.41) | JAK3 | |
| SCHEMBL3391768 | 0.86 | HSP90AA1 (0.41) | JAK3 | |
| SCHEMBL3398973 | 0.84 | JAK3 (0.40) | JAK3IRAK4MAPK1CDK1PRKCA | |
| SCHEMBL3394004 | 0.84 | JAK3 (0.38) | JAK3IRAK4SYKPIK3CAMAPK1 | |
| SCHEMBL3396252 | 0.84 | JAK3 (0.38) | JAK3IRAK4SYKPIK3CAMAPK1 | |
| SCHEMBL2277592 | 0.83 | JAK3 (0.51) | JAK3IRAK4AOC3SYK | |
| SCHEMBL2277443 | 0.83 | JAK3 (0.51) | JAK3IRAK4AOC3SYK | |
| SCHEMBL2277435 | 0.83 | JAK3 (0.51) | JAK3IRAK4AOC3SYK | |
| SCHEMBL3396503 | 0.82 | JAK3 (0.39) | JAK3IRAK4MAPK1ITKBTK |
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-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | claimed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | claimed |
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |