SCHEMBL5568689

SCHEMBL5568689

COc1cc(NS(=O)(=O)N2CC(C)NCC2C)nc(SCc2cccc(F)c2F)n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.52
CXCR1 P25024 1/20 0.52
CCR7 P32248 1/20 0.38

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
SCHEMBL5568690 1.00 CXCR2 (0.52) CXCR2CXCR1CCR7
SCHEMBL1487339 1.00 CXCR2 (0.52) CXCR2CXCR1CCR7
SCHEMBL9972769 0.88 CXCR2 (0.53) CXCR2CXCR1CCR7
SCHEMBL9972768 0.88 CXCR2 (0.53) CXCR2CXCR1CCR7
SCHEMBL1487200 0.85 CXCR2 (0.58) CXCR2CXCR1CCR7
SCHEMBL14482332 0.83 CXCR2 (0.52) CXCR2CXCR1CCR7
SCHEMBL1644205 0.83 CXCR2 (0.53) CXCR2CXCR1
SCHEMBL1487391 0.83 CXCR2 (0.53) CXCR2CXCR1
SCHEMBL1487255 0.82 CXCR2 (0.61) CXCR2CXCR1CCR7
SCHEMBL1487906 0.82 CXCR2 (0.59) CXCR2CXCR1CCR7

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
WO-2006024823-A9 PYRIMIDINE SULPHONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-03-15 WO disclosed