SCHEMBL6607617

SCHEMBL6607617

COc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c2ccc(Cl)s2)cc1.COc1nc(C#N)cnc1NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 18/20 0.67
CCR5 P51681 2/20 0.67
EDNRA P25101 1/20 0.45

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
SCHEMBL5106036 0.91 CCR4 (0.74) CCR4CCR5
SCHEMBL5098574 0.85 CCR4 (0.70) CCR4CCR5
SCHEMBL5105223 0.82 CCR4 (1.00) CCR4CCR5EDNRA
SCHEMBL6039005 0.80 CCR4 (0.73) CCR4CCR5EDNRA
SCHEMBL5103230 0.76 CCR4 (1.00) CCR4CCR5EDNRA
SCHEMBL6181343 0.76 CCR4 (0.54) CCR4CCR5
SCHEMBL5105251 0.76 CCR4 (0.78) CCR4CCR5
SCHEMBL6038863 0.74 CCR4 (0.66) CCR4CCR5EDNRA
SCHEMBL5103307 0.74 CCR4 (0.78) CCR4CCR5EDNRA
SCHEMBL5105666 0.74 CCR4 (0.82) CCR4CCR5EDNRA

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-1458715-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051870-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-06-26 WO disclosed