Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 3/20 | 0.35 |
| ▸ | STK4 | Q13043 | 1/20 | 0.35 |
| ▸ | STK3 | Q13188 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 8/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3391851 | 0.95 | MAPK1 (0.37) | MAPK1JAK3STK4STK3PRKCI | |
| SCHEMBL3399102 | 0.92 | JAK3 (0.36) | MAPK1JAK3PRKCIBTKITK | |
| SCHEMBL3396688 | 0.90 | MAPK1 (0.35) | MAPK1JAK3PRKCIBTKITK | |
| SCHEMBL3398656 | 0.90 | STK4 (0.35) | MAPK1JAK3STK4STK3PRKCI | |
| SCHEMBL3393068 | 0.89 | PTPN11 (0.36) | MAPK1JAK3PRKCIBTKITK | |
| SCHEMBL3396246 | 0.89 | JAK3 (0.34) | MAPK1JAK3PRKCIBTKITK | |
| SCHEMBL3397072 | 0.88 | JAK3 (0.36) | MAPK1JAK3PRKCIBTKITK | |
| SCHEMBL3394090 | 0.87 | MAP4K1 (0.33) | MAPK1JAK3PRKCIMAP4K1ATR | |
| SCHEMBL3395762 | 0.87 | USP2 (0.41) | MAPK1JAK3PRKCICYP2D6 | |
| SCHEMBL3395125 | 0.87 | PIM1 (0.34) | MAPK1JAK3PRKCIBTKITK |
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 |