SCHEMBL5207133

SCHEMBL5207133

Cc1nc(OCc2ccc(F)cc2C#N)c(Br)c(=O)n1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.46
APLNR P35414 5/20 0.39
P2RX3 P56373 1/20 0.36

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
SCHEMBL5206941 0.88 MAPK14 (0.40) MAPK14APLNRP2RX3
SCHEMBL5240579 0.88 MAPK14 (0.39) MAPK14APLNRP2RX3
SCHEMBL5202726 0.83 MAPK14 (0.45) MAPK14
SCHEMBL3523763 0.82 MAPK14 (0.53) MAPK14
SCHEMBL5241553 0.82 MAPK14 (0.46) MAPK14
SCHEMBL3519143 0.78 MAPK14 (0.46) MAPK14
SCHEMBL3518588 0.77 MAPK14 (0.71) MAPK14
SCHEMBL5202236 0.77 MAPK14 (0.48) MAPK14
SCHEMBL5204144 0.76 MAPK14 (0.41) MAPK14
SCHEMBL3523091 0.75 MAPK14 (0.48) 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