Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 4/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | BTK | Q06187 | 2/20 | 0.32 |
| ▸ | ITK | Q08881 | 2/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 2/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL3396539 | 0.93 | JAK3 (0.36) | JAK3MAP4K1MAPK1LRRK2 | |
| SCHEMBL3395555 | 0.90 | JAK3 (0.37) | JAK3MAP4K1ATRMAPK1BTK | |
| SCHEMBL3397048 | 0.90 | JAK3 (0.39) | JAK3MAP4K1ATRMAPK1BTK | |
| SCHEMBL3394072 | 0.88 | CHRNB2 (0.37) | JAK3MAPK1SYKCYP2D6 | |
| SCHEMBL3391915 | 0.88 | JAK3 (0.37) | JAK3MAP4K1ATRMAPK1BTK | |
| SCHEMBL3397161 | 0.85 | JAK3 (0.38) | JAK3MAP4K1MAPK1GRIN1GRIN2B | |
| SCHEMBL3398973 | 0.85 | JAK3 (0.40) | JAK3MAP4K1ATRMAPK1BTK | |
| SCHEMBL3397072 | 0.85 | JAK3 (0.36) | JAK3MAP4K1ATRMAPK1BTK | |
| SCHEMBL3399410 | 0.85 | JAK3 (0.36) | JAK3MAP4K1MAPK1 | |
| SCHEMBL3396503 | 0.85 | JAK3 (0.39) | JAK3ATRMAPK1BTKITK |
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 |