SCHEMBL14100385

SCHEMBL14100385

Cc1ccc(CNc2nsnc2Nc2cccc(C(=O)N(C)C)c2O)s1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.64
▸ CXCR1 P25024 19/20 0.64

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
SCHEMBL13947696 0.86 CXCR2 (0.50) CXCR2CXCR1
SCHEMBL14100379 0.82 CXCR2 (0.69) CXCR2CXCR1
SCHEMBL14100815 0.82 CXCR2 (0.58) CXCR2CXCR1
SCHEMBL14621813 0.81 CXCR2 (0.47) CXCR2CXCR1
SCHEMBL13948182 0.80 CXCR2 (0.48) CXCR2CXCR1
SCHEMBL14100234 0.80 CXCR2 (0.57) CXCR2CXCR1
SCHEMBL14100486 0.80 CXCR2 (0.67) CXCR2CXCR1
SCHEMBL14100317 0.78 CXCR1 (0.59) CXCR2CXCR1
SCHEMBL14100466 0.78 CXCR2 (0.58) CXCR2CXCR1
SCHEMBL13208159 0.78 CXCR1 (1.00) CXCR2CXCR1

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-1694659-B1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2008-08-27 — — EP disclosed
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