SCHEMBL5202280

SCHEMBL5202280

CC(C)n1c(OCCCCO)nc(OCc2ccc(F)cc2F)c(Cl)c1=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.44
MAPK11 Q15759 3/20 0.44
MAPKAPK2 P49137 1/20 0.36
MAOB P27338 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL5204463 0.89 MAPK14 (0.47) MAPK14MAPK11MAOB
SCHEMBL5206786 0.89 MAPK14 (0.43) MAPK14MAPK11MAOB
SCHEMBL5204957 0.88 MAPK14 (0.45) MAPK14MAPK11MAPKAPK2MAOB
SCHEMBL5206853 0.87 MAPK14 (0.46) MAPK14MAPK11MAPKAPK2MAOB
Trifluoroacetic Acid SCHEMBL5203957 0.86 MAPK14 (0.43) MAPK14MAPK11MAPKAPK2MAOB
SCHEMBL5205934 0.85 MAPK14 (0.46) MAPK14MAPK11MAOB
SCHEMBL5205668 0.85 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL5204556 0.83 MAPK14 (0.47) MAPK14MAPK11MAPKAPK2MAOB
SCHEMBL5237979 0.83 MAPK14 (0.49) MAPK14MAPK11MAPKAPK2
SCHEMBL5202629 0.83 MAPK14 (0.45) 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