SCHEMBL5317880

SCHEMBL5317880

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.42
MAPK11 Q15759 3/20 0.42
P2RX3 P56373 1/20 0.37
MAPKAPK2 P49137 2/20 0.35
MAOB P27338 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
IDH1 O75874 1/20 0.33

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
SCHEMBL5241112 0.91 MAPK14 (0.42) MAPK14MAPK11
SCHEMBL5209831 0.89 MAPK14 (0.46) MAPK14MAPK11MAOBPCSK9IDH1
SCHEMBL5239711 0.86 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL5206441 0.85 MAPK14 (0.48) MAPK14MAPK11MAOBPCSK9
SCHEMBL5207048 0.81 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL5206712 0.80 MAPK8 (0.42) MAPK14MAPK11IDH1
SCHEMBL5237786 0.78 MAPK14 (0.37) MAPK14MAPK11P2RX3MAPKAPK2
SCHEMBL5205934 0.78 MAPK14 (0.46) MAPK14MAPK11MAOB
SCHEMBL5202629 0.77 MAPK14 (0.45) MAPK14MAPK11MAPKAPK2
SCHEMBL5206968 0.76 MAPK14 (0.43) 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