SCHEMBL5207032

SCHEMBL5207032

CC(C)n1c(-c2ccccc2)nc(OCc2ccc(F)cc2F)c(Cl)c1=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.47
MAPK11 Q15759 1/20 0.44
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL5237979 0.90 MAPK14 (0.49) MAPK14MAPK11
SCHEMBL5202236 0.88 MAPK14 (0.48) MAPK14
SCHEMBL5321707 0.87 MAPK14 (0.52) MAPK14MAPK11
SCHEMBL5320422 0.86 MAPK14 (0.50) MAPK14MAPK11
SCHEMBL5204556 0.83 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL5202334 0.82 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL5241512 0.81 MAPK14 (0.43) MAPK14MAPK11
SCHEMBL5207124 0.81 MAPK14 (0.43) MAPK14MAPK11
SCHEMBL5203740 0.81 CYP1A1 (0.42) MAPK14CYP1A1CYP1A2CYP1B1
SCHEMBL5373464 0.80 MAPK14 (0.45) MAPK14MAPK11

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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