Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.40 |
| ▸ | TTK | P33981 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 12/20 | 0.39 |
| ▸ | JAK1 | P23458 | 4/20 | 0.39 |
| ▸ | TYK2 | P29597 | 4/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3968767 | 0.90 | TTK (0.47) | AURKAAURKBTTKJAK3JAK1 | |
| SCHEMBL3967528 | 0.88 | TTK (0.45) | AURKAAURKBTTKJAK3JAK1 | |
| SCHEMBL3966929 | 0.88 | AURKA (0.40) | AURKAAURKBTTKJAK3JAK1 | |
| SCHEMBL3972692 | 0.86 | AURKA (0.40) | AURKAAURKBTTKJAK3JAK1 | |
| SCHEMBL3969554 | 0.79 | AURKA (0.40) | AURKAAURKBTTKJAK3GSK3B | |
| SCHEMBL3975953 | 0.79 | JAK3 (0.37) | AURKAAURKBJAK3JAK1TYK2 | |
| SCHEMBL3967881 | 0.78 | AURKA (0.44) | AURKAAURKBJAK3JAK1TYK2 | |
| SCHEMBL3967587 | 0.77 | AURKA (0.45) | AURKAAURKBJAK3JAK1TYK2 | |
| SCHEMBL3967158 | 0.76 | JAK3 (0.46) | JAK3JAK1TYK2 | |
| SCHEMBL3967984 | 0.76 | JAK3 (0.46) | JAK3JAK1TYK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1966190-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071348-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-28 | — | — | WO | disclosed |