Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 7/20 | 0.56 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | ITK | Q08881 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 4/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | GRK6 | P43250 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2278512 | 1.00 | JAK3 (0.56) | JAK3BTKITKSYKCYP17A1 | |
| SCHEMBL2278246 | 0.89 | JAK3 (0.57) | JAK3BTKITKSYKMAPK1 | |
| SCHEMBL2341372 | 0.89 | JAK3 (0.57) | JAK3BTKITKSYKMAPK1 | |
| SCHEMBL2279001 | 0.89 | JAK3 (0.56) | JAK3SYKMAPK1CYP2C9 | |
| SCHEMBL2272883 | 0.84 | JAK3 (0.55) | JAK3BTKITKSYKPIK3CD | |
| SCHEMBL2279333 | 0.83 | JAK3 (0.61) | JAK3SYKPIK3CAPIK3CBPIK3CG | |
| SCHEMBL2280877 | 0.83 | JAK3 (0.61) | JAK3BTKITKSYKMAPK1 | |
| SCHEMBL2278825 | 0.82 | JAK3 (0.60) | JAK3SYKMAPK1CYP2D6CYP2C9 | |
| SCHEMBL2276701 | 0.82 | JAK3 (0.58) | JAK3SYKCYP17A1CYP3A4PIK3CD | |
| SCHEMBL2280013 | 0.82 | JAK3 (0.51) | JAK3BTKITKSYKPIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2245033-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| 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 |