SCHEMBL5239396

SCHEMBL5239396

CC(C)n1c(NCC(=O)NCCO)nc(OCc2ccc(F)cc2F)c(Br)c1=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.52
MAPK11 Q15759 3/20 0.46
PCSK9 Q8NBP7 1/20 0.40

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
SCHEMBL5238495 0.90 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL5209335 0.89 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL5209640 0.84 MAPK14 (0.47) MAPK14MAPK11
SCHEMBL5241541 0.84 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL5203755 0.84 MAPK14 (0.46) MAPK14
SCHEMBL5272213 0.84 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL5202222 0.84 MAPK14 (0.46) MAPK14
SCHEMBL5204040 0.84 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL5207590 0.83 MAPK14 (0.44) MAPK14
SCHEMBL5207209 0.83 MAPK14 (0.41) 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