Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 18/20 | 0.64 |
| ▸ | CDK2 | P24941 | 16/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 9/20 | 0.56 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16893003 | 0.94 | AURKA (0.64) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL16893132 | 0.91 | AURKA (0.53) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL16893119 | 0.90 | AURKA (0.66) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL16893131 | 0.86 | AURKA (0.67) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL16893089 | 0.85 | AURKA (0.75) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL16893114 | 0.85 | AURKA (0.67) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL16893060 | 0.84 | AURKA (0.64) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL16892999 | 0.84 | AURKA (0.64) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL16893070 | 0.84 | AURKA (0.66) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL16892985 | 0.84 | AURKA (0.59) | AURKACDK2MAPK1MAP3K7FLT3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | claimed |