Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 7/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3401949 | 0.84 | MAPK1 (0.35) | MAPK1JAK3 | |
| SCHEMBL3399528 | 0.84 | LRRK2 (0.39) | LRRK2MAPK1KLKB1KLK1PIM1 | |
| SCHEMBL3397988 | 0.84 | LRRK2 (0.39) | LRRK2MAPK1KLKB1KLK1PIM1 | |
| SCHEMBL3399555 | 0.83 | ITGB2 (0.39) | LRRK2MAPK1KLKB1KLK1PIM1 | |
| SCHEMBL3398822 | 0.82 | ITGB2 (0.39) | PIM1PIM2JAK3 | |
| SCHEMBL3399086 | 0.81 | JAK3 (0.36) | JAK2MAPK1JAK3 | |
| SCHEMBL1890101 | 0.80 | JAK3 (0.44) | MAP3K12JAK2JAK3 | |
| SCHEMBL3397858 | 0.80 | HRH4 (0.42) | LRRK2KLKB1KLK1JAK3 | |
| SCHEMBL3401593 | 0.79 | SYK (0.36) | MAPK1KLKB1KLK1JAK3 | |
| SCHEMBL3396245 | 0.78 | MAPK1 (0.36) | LRRK2MAPK1CNR2JAK3 |
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-2247592-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-10 | — | — | EP | claimed |
| WO-2009106442-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | claimed |
| EP-2247592-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009106442-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |