SCHEMBL5202629

SCHEMBL5202629

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.45
MAPK11 Q15759 3/20 0.45
SCN9A Q15858 1/20 0.38
IDO1 P14902 2/20 0.36
PDK2 Q15119 1/20 0.36
MAPKAPK2 P49137 2/20 0.36
PLK1 P53350 2/20 0.35

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
SCHEMBL5204817 0.90 MAPK14 (0.45) MAPK14MAPK11SCN9A
SCHEMBL5205934 0.90 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL5205668 0.89 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL5201926 0.85 MAPK14 (0.43) MAPK14MAPK11
Trifluoroacetic Acid SCHEMBL5203957 0.83 MAPK14 (0.43) MAPK14MAPK11MAPKAPK2
SCHEMBL5206786 0.83 MAPK14 (0.43) MAPK14MAPK11
SCHEMBL5204463 0.83 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL5202280 0.83 MAPK14 (0.44) MAPK14MAPK11MAPKAPK2
SCHEMBL5201921 0.82 MAPK14 (0.41) MAPK14MAPK11MAPKAPK2
SCHEMBL5206024 0.80 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 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