SCHEMBL14639802

SCHEMBL14639802

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

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.70
CXCR1 P25024 17/20 0.70

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
SCHEMBL13344783 0.91 CXCR2 (0.75) CXCR2CXCR1
SCHEMBL14639812 0.87 CXCR2 (0.66) CXCR2CXCR1
SCHEMBL12779641 0.86 CXCR2 (0.75) CXCR2CXCR1
SCHEMBL12779694 0.86 CXCR2 (0.72) CXCR2CXCR1
SCHEMBL14639909 0.84 CXCR2 (0.65) CXCR2CXCR1
SCHEMBL14639918 0.83 CXCR2 (0.57) CXCR2CXCR1
SCHEMBL14639725 0.83 CXCR2 (0.60) CXCR2CXCR1
SCHEMBL13208124 0.83 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL14639823 0.83 CXCR2 (0.48) CXCR2CXCR1
SCHEMBL13206994 0.82 CXCR2 (0.74) 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
WO-2007005403-A1 5,6-DI-SUBSTITUTED OXADIAZOLOPYRAZINES AND THIADIAZOLOPYRAZINES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2007-01-11 WO disclosed