SCHEMBL5209399

SCHEMBL5209399

CSc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.43
HTR6 P50406 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
SCHEMBL5209127 0.83 MAPK14 (0.43) MAPK14HTR6
SCHEMBL5204954 0.82 MAPK14 (0.44) MAPK14
SCHEMBL5236197 0.81 MAPK14 (0.41) MAPK14
SCHEMBL5203025 0.81 HTR2A (0.38) MAPK14HTR6
SCHEMBL5209531 0.80 MAPK14 (0.43) MAPK14
SCHEMBL3520338 0.75 MAPK14 (0.46) MAPK14
SCHEMBL3523061 0.72 MAPK14 (0.49) MAPK14
SCHEMBL3523539 0.72 MAPK14 (0.60) MAPK14
SCHEMBL3525192 0.71 HTR6 (0.45) MAPK14HTR6
SCHEMBL5202334 0.71 MAPK14 (0.44) MAPK14

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