Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | ITK | Q08881 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.33 |
| ▸ | SYK | P43405 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.32 |
| ▸ | JAK3 | P52333 | 2/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL3399615 | 0.87 | MAP4K1 (0.35) | BTKITKMAP4K1SYKKCNH2 | |
| SCHEMBL3398570 | 0.87 | SYK (0.35) | BTKITKMAP4K1SYKKCNH2 | |
| SCHEMBL3395780 | 0.86 | MAP4K1 (0.34) | BTKITKMAP4K1SYKKCNH2 | |
| SCHEMBL3396851 | 0.85 | SYK (0.36) | MAP4K1SYKKCNH2 | |
| SCHEMBL3393919 | 0.85 | MAP4K1 (0.40) | MAP4K1SYKKCNH2CYP2C9 | |
| SCHEMBL3399808 | 0.85 | MAP4K1 (0.37) | MAP4K1SYKKCNH2JAK3CYP2C9 | |
| SCHEMBL3398989 | 0.84 | MAP4K1 (0.38) | MAP4K1SYKKCNH2JAK3CYP2C9 | |
| SCHEMBL3396369 | 0.84 | MAP4K1 (0.33) | MAP4K1SYKKCNH2 | |
| SCHEMBL3395900 | 0.83 | MAP4K1 (0.35) | MAP4K1SYKKCNH2JAK3CYP2C9 | |
| SCHEMBL3393665 | 0.80 | TTK (0.38) | BTKITKMAP4K1SYKJAK3 |
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 | claimed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | claimed |