SCHEMBL15310249

SCHEMBL15310249

COc1cccc(Cn2nc(NS(=O)(=O)C3=CC(Cl)=CCC3=S)c3c(OC)cccc32)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.64
CCR5 P51681 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48

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
SCHEMBL15310717 0.93 CCR4 (0.63) CCR4
SCHEMBL15310453 0.91 CCR4 (0.64) CCR4
SCHEMBL15310467 0.90 CCR4 (0.52) CCR4
SCHEMBL15310525 0.90 CCR4 (0.53) CCR4
SCHEMBL15310248 0.89 CCR4 (0.53) CCR4CCR5FFAR4SLCO1B1
SCHEMBL15310422 0.89 CCR4 (0.53) CCR4CCR5FFAR4SLCO1B1
SCHEMBL15310568 0.87 CCR4 (0.52) CCR4
SCHEMBL15310328 0.87 CCR4 (0.62) CCR4
SCHEMBL15310654 0.86 CCR4 (0.57) CCR4CCR5FFAR4SLCO1B1
SCHEMBL15310493 0.85 CCR4 (0.57) CCR4CCR5FFAR4SLCO1B1

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-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP claimed