Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | MET | P08581 | 1/20 | 0.45 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.43 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3396186 | 0.91 | MAPK1 (0.44) | ADORA2AADORA1METNTRK1ACHE | |
| SCHEMBL2279946 | 0.82 | JAK3 (0.48) | ADORA2AADORA1METNTRK1ACHE | |
| SCHEMBL3399285 | 0.78 | PDPK1 (0.38) | MAPK1JAK3 | |
| SCHEMBL3399133 | 0.77 | TNIK (0.43) | CDK2FLT3 | |
| SCHEMBL3399277 | 0.77 | NPC1 (0.43) | KDM4E | |
| SCHEMBL3399527 | 0.77 | CNR2 (0.38) | ACHEMAPK1JAK3MAP4K4PIK3CA | |
| SCHEMBL3396459 | 0.77 | MAP4K1 (0.39) | MAPK1SRCJAK2JAK3ROCK2 | |
| SCHEMBL3397744 | 0.77 | NPC1 (0.41) | NTRK1MAPK1JAK3PIK3CA | |
| SCHEMBL3396467 | 0.76 | CNR2 (0.39) | ACHEJAK3MAP4K4PIK3CA | |
| SCHEMBL3398248 | 0.76 | MAPK1 (0.40) | MAPK1JAK3 |
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 |