SCHEMBL5206941

SCHEMBL5206941

CSc1nc(OCc2ccc(F)cc2C#N)c(Br)c(=O)n1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.40
CNR1 P21554 1/20 0.35
P2RX3 P56373 1/20 0.35
APLNR P35414 3/20 0.34
RIPK3 Q9Y572 1/20 0.33
DPP4 P27487 1/20 0.32

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
SCHEMBL5207133 0.88 MAPK14 (0.46) MAPK14P2RX3APLNR
SCHEMBL5204954 0.87 MAPK14 (0.44) MAPK14
SCHEMBL5206635 0.85 MAPK14 (0.38) MAPK14
SCHEMBL5240579 0.84 MAPK14 (0.39) MAPK14P2RX3APLNR
SCHEMBL5241553 0.79 MAPK14 (0.46) MAPK14
SCHEMBL4512780 0.76 MAPK14 (0.50) MAPK14
SCHEMBL3523763 0.76 MAPK14 (0.53) MAPK14
SCHEMBL5202334 0.75 MAPK14 (0.44) MAPK14CNR1
SCHEMBL5209531 0.74 MAPK14 (0.43) MAPK14
SCHEMBL5202360 0.73 MAPK14 (0.37) MAPK14P2RX3

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