SCHEMBL14639723

SCHEMBL14639723

CN(C)C(=O)c1cccc(Nc2nc3nonc3nc2Nc2ccccc2Br)c1O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.47
CXCR1 P25024 13/20 0.46
CCR6 P51684 1/20 0.44

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
SCHEMBL13344799 0.91 CXCR2 (0.51) CXCR2CXCR1CCR6
SCHEMBL14639725 0.88 CXCR2 (0.60) CXCR2CXCR1CCR6
SCHEMBL12779718 0.83 CXCR2 (0.48) CXCR2CXCR1CCR6
SCHEMBL13208179 0.82 CXCR2 (0.66) CXCR2CXCR1
SCHEMBL13207150 0.81 CXCR2 (0.50) CXCR2CXCR1CCR6
SCHEMBL14639802 0.80 CXCR2 (0.70) CXCR2CXCR1
SCHEMBL14619897 0.80 CXCR2 (0.47) CXCR2CXCR1CCR6
SCHEMBL13345079 0.79 CXCR2 (0.44) CXCR2CXCR1CCR6
SCHEMBL13345264 0.79 CXCR2 (0.44) CXCR2CXCR1CCR6
SCHEMBL13344796 0.78 CXCR2 (0.65) 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