SCHEMBL3856935

SCHEMBL3856935

NS(=O)(=O)c1ccc(-c2cc3nc(CSc4cccc(F)c4F)c(-c4cc(CSc5cccc(F)c5F)nc5c(Cc6ccccc6)cnn45)c(O)n3n2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.37

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
SCHEMBL3340771 0.78 CXCR2 (0.43) CXCR2
SCHEMBL3343811 0.71 CXCR2 (0.49) CXCR2
SCHEMBL3337830 0.64 CXCR2 (0.52) CXCR2
SCHEMBL3340936 0.63 CXCR2 (0.48) CXCR2
SCHEMBL3337864 0.63 CXCR2 (0.49) CXCR2
SCHEMBL3339100 0.62 CXCR2 (0.46) CXCR2
SCHEMBL3338299 0.61 CXCR2 (0.52) CXCR2
SCHEMBL3340295 0.61 CXCR2 (0.48) CXCR2
SCHEMBL3341508 0.60 CXCR2 (0.48) CXCR2
SCHEMBL3336608 0.60 CXCR2 (0.48) CXCR2

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-2094697-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A]PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 EP claimed
WO-2008062026-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO claimed