Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.33 |
| ▸ | SYK | P43405 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | NEK2 | P51955 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 6/20 | 0.31 |
| ▸ | ABL1 | P00519 | 5/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.31 |
| ▸ | YES1 | P07947 | 5/20 | 0.31 |
| ▸ | PIM1 | P11309 | 4/20 | 0.31 |
| ▸ | HIPK1 | Q86Z02 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3393919 | 0.92 | MAP4K1 (0.40) | MAP4K1CLK1DYRK1AMAPK1SYK | |
| SCHEMBL3398989 | 0.86 | MAP4K1 (0.38) | MAP4K1CLK1DYRK1AMAPK1SYK | |
| SCHEMBL3399808 | 0.85 | MAP4K1 (0.37) | MAP4K1MAPK1SYKCYP2C9NPC1 | |
| SCHEMBL3395900 | 0.83 | MAP4K1 (0.35) | MAP4K1MAPK1SYKCYP2C9ALDH1A1 | |
| SCHEMBL3401949 | 0.83 | MAPK1 (0.35) | MAP4K1DYRK1AMAPK1 | |
| SCHEMBL3399615 | 0.83 | MAP4K1 (0.35) | MAP4K1MAPK1SYKCYP2C9KDR | |
| SCHEMBL3395780 | 0.81 | MAP4K1 (0.34) | MAP4K1SYK | |
| SCHEMBL3396851 | 0.81 | SYK (0.36) | MAP4K1SYK | |
| SCHEMBL2274208 | 0.80 | JAK3 (0.44) | MAP4K1SYKCYP2C9 | |
| SCHEMBL3398570 | 0.80 | SYK (0.35) | MAP4K1MAPK1SYKCYP2C9 |
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 |