SCHEMBL14639823

SCHEMBL14639823

CC[C@@H](Nc1nc2nonc2nc1Nc1cccc(S(=O)(=O)N(C)C)c1O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.48
CXCR1 P25024 7/20 0.48
CCR6 P51684 4/20 0.45
KCNA5 P22460 1/20 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
SCHEMBL13344874 0.91 CXCR2 (0.51) CXCR2CXCR1CCR6
SCHEMBL12779831 0.86 CXCR2 (0.49) CXCR2CXCR1CCR6
SCHEMBL14639818 0.84 CXCR2 (0.45) CXCR2CXCR1CCR6
SCHEMBL14639802 0.83 CXCR2 (0.70) CXCR2CXCR1
SCHEMBL13345149 0.81 CXCR2 (0.45) CXCR2CXCR1CCR6
SCHEMBL13345300 0.80 CXCR2 (0.45) CXCR2CXCR1CCR6
SCHEMBL14639810 0.79 CXCR2 (0.59) CXCR2CXCR1CCR6
SCHEMBL14639806 0.77 CXCR1 (0.40) CXCR2CXCR1CCR6
SCHEMBL14639809 0.77 CXCR2 (0.39) CXCR2CXCR1CCR6
SCHEMBL13344860 0.77 CXCR2 (0.55) CXCR2CXCR1CCR6

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-2007005403-A1 5,6-DI-SUBSTITUTED OXADIAZOLOPYRAZINES AND THIADIAZOLOPYRAZINES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2007-01-11 WO disclosed