SCHEMBL187085

SCHEMBL187085

CC(C)COC(=O)n1nc(N(S(=O)(=O)c2ccc(Cl)s2)S(=O)(=O)c2ccc(Cl)s2)c2c(C#N)cccc21

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.41

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
SCHEMBL186607 0.75 CCR4 (0.40) CCR4
SCHEMBL185525 0.75 ALDH1A1 (0.38)
SCHEMBL186109 0.73 CCR4 (0.62) CCR4
SCHEMBL10278999 0.72 CCR4 (0.36) CCR4
SCHEMBL186304 0.72 CCR4 (0.44) CCR4
SCHEMBL13241494 0.72 CCR4 (0.44) CCR4
SCHEMBL15310449 0.71 CCR4 (0.65) CCR4
SCHEMBL10234857 0.70 CCR4 (0.61) CCR4
SCHEMBL356727 0.67 MAP2K1 (0.43) CCR4
SCHEMBL1980737 0.66 SCN9A (0.41)

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-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed