SCHEMBL5204817

SCHEMBL5204817

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.45
MAPK11 Q15759 4/20 0.40
SCN9A Q15858 1/20 0.38
ROCK2 O75116 1/20 0.38
MAPK12 P53778 1/20 0.38
STRADA Q7RTN6 1/20 0.38

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
SCHEMBL5202629 0.90 MAPK14 (0.45) MAPK14MAPK11SCN9A
SCHEMBL5206024 0.90 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL5209259 0.89 MAPK14 (0.46) MAPK14MAPK11
Trifluoroacetic Acid SCHEMBL5204473 0.84 MAPK14 (0.40) MAPK14
SCHEMBL5233788 0.83 MAPK14 (0.43) MAPK14
SCHEMBL5204251 0.83 MAPK14 (0.41) MAPK14
SCHEMBL5205934 0.80 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL5205668 0.79 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL5207048 0.78 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL5241792 0.77 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