Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 8/20 | 0.59 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.59 |
| ▸ | JAK2 | O60674 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | JAK1 | P23458 | 3/20 | 0.43 |
| ▸ | TYK2 | P29597 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | JAK3 | P52333 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | PAK4 | O96013 | 4/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL174808 | 0.87 | AURKA (0.60) | AURKAAURKBJAK2CYP3A4CYP2C8 | |
| SCHEMBL174455 | 0.86 | AURKA (0.42) | AURKAAURKBCYP2C9CYP2C19ADORA3 | |
| SCHEMBL165427 | 0.85 | AURKA (0.60) | AURKAAURKBJAK2CYP3A4CYP2C8 | |
| SCHEMBL174382 | 0.82 | AURKA (0.71) | AURKAAURKBJAK2CYP3A4CYP2C8 | |
| SCHEMBL174414 | 0.82 | AURKA (0.73) | AURKAAURKBJAK2CYP3A4CYP2C8 | |
| SCHEMBL166330 | 0.82 | AURKA (0.54) | AURKAAURKBJAK2CYP3A4CYP2C8 | |
| SCHEMBL175237 | 0.82 | AURKA (0.64) | AURKAAURKBJAK2CYP3A4CYP2C8 | |
| SCHEMBL173501 | 0.81 | AURKA (0.88) | AURKAAURKBJAK2CYP3A4CYP2C8 | |
| SCHEMBL173218 | 0.80 | AURKA (0.76) | AURKAAURKBJAK2CYP3A4CYP2C8 | |
| SCHEMBL174517 | 0.80 | FLT3 (0.40) | AURKAAURKBJAK2CYP2C9JAK1 |
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-2611812-A1 | THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012030894-A1 | THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2012-03-08 | — | — | WO | disclosed |