SCHEMBL5202355

SCHEMBL5202355

CC(C)n1c(-c2ccc(C(N)=O)cc2)nc(OCc2ccc(F)cc2F)c(Br)c1=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.55
PTGER1 P34995 1/20 0.46
ROCK2 O75116 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
STRADA Q7RTN6 1/20 0.42

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
SCHEMBL5322585 0.91 MAPK14 (0.56) MAPK14PTGER1
SCHEMBL5321707 0.89 MAPK14 (0.52) MAPK14PTGER1MAPK11
SCHEMBL5202236 0.87 MAPK14 (0.48) MAPK14
SCHEMBL3522697 0.83 MAPK14 (0.70) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL5203927 0.83 MAPK14 (0.49) MAPK14PTGER1
SCHEMBL3525953 0.81 MAPK14 (0.71) MAPK14PTGER1
SCHEMBL5209757 0.81 MAPK14 (0.44) MAPK14
SCHEMBL5320422 0.80 MAPK14 (0.50) MAPK14PTGER1MAPK11
SCHEMBL5206806 0.80 MAPK14 (0.44) MAPK14
SCHEMBL5321552 0.80 MAPK14 (0.44) MAPK14PTGER1

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