Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 14/20 | 0.64 |
| ▸ | CDK2 | P24941 | 12/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.64 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 2/20 | 0.45 |
| ▸ | FLT3 | P36888 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094116 | 0.89 | AURKA (0.51) | AURKACDK2MAPK1CNR1 | |
| SCHEMBL5390985 | 0.89 | AURKA (0.68) | AURKACDK2MAPK1FLT3 | |
| SCHEMBL16893145 | 0.86 | AURKA (0.51) | AURKACDK2MAPK1CNR1JAK2 | |
| SCHEMBL6999084 | 0.85 | AURKA (0.64) | AURKACDK2MAPK1 | |
| SCHEMBL6999165 | 0.84 | AURKA (0.70) | AURKACDK2MAPK1CNR1FLT3 | |
| SCHEMBL2787595 | 0.82 | AURKA (0.69) | AURKACDK2MAPK1JAK2 | |
| SCHEMBL5403707 | 0.79 | AURKA (0.56) | AURKACDK2MAPK1JAK2 | |
| Propionamide SCHEMBL27582122 | 0.78 | AURKA (0.64) | AURKACDK2MAPK1JAK2FLT3 | |
| SCHEMBL1226700 | 0.78 | AURKA (1.00) | AURKACDK2MAPK1FLT3 | |
| SCHEMBL5407277 | 0.77 | AURKA (0.58) | AURKACDK2MAPK1JAK2 |
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-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | claimed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | claimed |
| EP-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | disclosed |