SCHEMBL14639809

SCHEMBL14639809

Cc1cc([C@H](Nc2nc3nonc3nc2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.39
CXCR1 P25024 9/20 0.39
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CDKN1A P38936 1/20 0.36
CCR6 P51684 4/20 0.33
CCR7 P32248 1/20 0.33
LMNA P02545 1/20 0.32
BIRC5 O15392 1/20 0.32

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
SCHEMBL13344882 0.91 CXCR2 (0.41) CXCR2CXCR1CCR6CCR7
SCHEMBL12779844 0.88 CXCR1 (0.40) CXCR2CXCR1CCR6CCR7
SCHEMBL13208916 0.85 CXCR1 (0.54) CXCR2CXCR1
SCHEMBL13208019 0.84 CXCR1 (0.41) CXCR2CXCR1CCR6CCR7
SCHEMBL14639813 0.84 CXCR2 (0.57) CXCR2CXCR1CCR7
SCHEMBL14621657 0.82 CXCR2 (0.40) CXCR2CXCR1CCR6CCR7
SCHEMBL14621653 0.82 CXCR2 (0.40) CXCR2CXCR1CCR6CCR7
SCHEMBL13345302 0.82 CXCR2 (0.38) CXCR2CXCR1CCR6CCR7
SCHEMBL13345152 0.82 CXCR2 (0.38) CXCR2CXCR1CCR6CCR7
SCHEMBL13407264 0.81 CXCR1 (0.40) CXCR2CXCR1CCR6CCR7

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