SCHEMBL185923

SCHEMBL185923

N#Cc1cccc(Cn2nc(-c3ccsc3S(N)(=O)=O)c3c(F)cccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.46
FEN1 P39748 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CCR4 P51679 1/20 0.35

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
SCHEMBL185667 0.89 RORC (0.36) RORCFEN1GRIN1GRIN2BCCR4
SCHEMBL185246 0.87 BUB1 (0.42) GRIN1GRIN2BCCR4
SCHEMBL186311 0.84 GRIN1 (0.42) FEN1GRIN1GRIN2BCCR4
SCHEMBL186431 0.82 CCR4 (0.41) GRIN1GRIN2BCCR4
SCHEMBL186021 0.77 GRIN1 (0.44) RORCGRIN1GRIN2B
SCHEMBL185924 0.74 CCR4 (0.51) CCR4
SCHEMBL186084 0.73 CCR4 (0.52) RORCCCR4
SCHEMBL185657 0.70 CCR4 (0.41) CCR4
SCHEMBL185711 0.70 CCR4 (0.70) CCR4
SCHEMBL186961 0.70 CCR4 (0.44) CCR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed