SCHEMBL5209831

SCHEMBL5209831

CC(=O)NCCNc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.46
MAPK11 Q15759 3/20 0.46
MAOB P27338 1/20 0.39
IDH1 O75874 1/20 0.36
PCSK9 Q8NBP7 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
SCHEMBL5206441 0.91 MAPK14 (0.48) MAPK14MAPK11MAOBPCSK9
SCHEMBL5317880 0.89 MAPK14 (0.42) MAPK14MAPK11MAOBIDH1PCSK9
SCHEMBL5205934 0.87 MAPK14 (0.46) MAPK14MAPK11MAOB
SCHEMBL5206712 0.86 MAPK8 (0.42) MAPK14MAPK11IDH1
SCHEMBL5204040 0.84 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL5209640 0.81 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL5204556 0.81 MAPK14 (0.47) MAPK14MAPK11MAOB
SCHEMBL5209335 0.81 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL5237979 0.81 MAPK14 (0.49) MAPK14MAPK11
SCHEMBL5207048 0.79 MAPK14 (0.44) 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