SCHEMBL5204585

SCHEMBL5204585

C=CCCc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.42
MAPK11 Q15759 1/20 0.40
MAPKAPK2 P49137 2/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL5206500 0.91 MAPK14 (0.42) MAPK14MAPK11MAPKAPK2
SCHEMBL5206062 0.89 MAPK14 (0.41) MAPK14
SCHEMBL5206853 0.86 MAPK14 (0.46) MAPK14MAPK11MAPKAPK2
SCHEMBL5209385 0.86 MAPK14 (0.44) MAPK14MAPK11MAPKAPK2
SCHEMBL5204957 0.85 MAPK14 (0.45) MAPK14MAPK11MAPKAPK2
SCHEMBL5373464 0.85 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL5206435 0.85 MAPK14 (0.48) MAPK14MAPK11
SCHEMBL5207375 0.85 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL5237979 0.84 MAPK14 (0.49) MAPK14MAPK11MAPKAPK2
SCHEMBL5204556 0.83 MAPK14 (0.47) MAPK14MAPK11MAPKAPK2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 EP claimed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 WO claimed
EP-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 EP disclosed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 WO disclosed