Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 7/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 3/20 | 0.32 |
| ▸ | JAK1 | P23458 | 2/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | ITK | Q08881 | 1/20 | 0.31 |
| ▸ | VCP | P55072 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398013 | 0.86 | KIT (0.40) | JAK3MAPK1SYKPRKCICYP2C9 | |
| SCHEMBL2273460 | 0.79 | JAK3 (0.51) | JAK3MAPK1SYKCYP2C9 | |
| SCHEMBL2275241 | 0.79 | JAK3 (0.51) | JAK3MAPK1SYKCYP2C9 | |
| SCHEMBL3398014 | 0.79 | MAPK1 (0.46) | JAK3MAPK1SYKCYP2C9JAK2 | |
| SCHEMBL2379755 | 0.72 | MAPK1 (0.41) | JAK3MAPK1SYKPRKCICYP2C9 | |
| SCHEMBL3399171 | 0.72 | SYK (0.61) | MAPK1SYKCYP2C9MAP4K1 | |
| SCHEMBL2379757 | 0.72 | MAPK1 (0.41) | JAK3MAPK1SYKPRKCICYP2C9 | |
| SCHEMBL3394072 | 0.71 | CHRNB2 (0.37) | JAK3MAPK1SYK | |
| SCHEMBL2283011 | 0.71 | JAK3 (0.53) | JAK3MAPK1SYKCYP2C9 | |
| SCHEMBL2283014 | 0.71 | JAK3 (0.53) | JAK3MAPK1SYKCYP2C9 |
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-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 |