Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 7/20 | 0.35 |
| ▸ | YES1 | P07947 | 6/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.35 |
| ▸ | PIM1 | P11309 | 5/20 | 0.35 |
| ▸ | KDR | P35968 | 5/20 | 0.35 |
| ▸ | HIPK1 | Q86Z02 | 5/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 4/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | ITK | Q08881 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398130 | 0.78 | SYK (0.51) | JAK3JAK2 | |
| SCHEMBL2278709 | 0.74 | JAK3 (0.55) | ATRMAPK1JAK3KITPRKCI | |
| SCHEMBL2339108 | 0.74 | MAP4K1 (0.37) | ATRABL1YES1MAPK1NTRK1 | |
| SCHEMBL14655483 | 0.74 | ATR (0.44) | ATRABL1YES1MAPK1NTRK1 | |
| SCHEMBL2281125 | 0.73 | JAK3 (0.54) | ATRMAPK1JAK3KITPRKCI | |
| SCHEMBL2346459 | 0.73 | KDM5B (0.37) | ATRABL1YES1MAPK1NTRK1 | |
| SCHEMBL2273872 | 0.73 | SYK (0.58) | — | |
| SCHEMBL2344632 | 0.72 | JAK3 (0.55) | ATRMAPK1KDM5BJAK3KIT | |
| SCHEMBL2278520 | 0.72 | JAK3 (0.55) | ATRMAPK1JAK3PRKCI | |
| SCHEMBL2273469 | 0.72 | JAK3 (0.44) | ATRJAK3KITPRKCIJAK2 |
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 |