SCHEMBL5205668

SCHEMBL5205668

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.47
MAPK11 Q15759 3/20 0.45
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 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
SCHEMBL5205934 0.92 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL5209259 0.90 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL5202629 0.89 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL5204463 0.89 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL5201926 0.88 MAPK14 (0.43) MAPK14MAPK11F2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL5203957 0.85 MAPK14 (0.43) MAPK14MAPK11
SCHEMBL5206786 0.85 MAPK14 (0.43) MAPK14MAPK11
SCHEMBL5202280 0.85 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL5201921 0.84 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL5206024 0.82 MAPK14 (0.46) 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 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