SCHEMBL3733992

SCHEMBL3733992

COc1cc(-c2cnc3cccc(-c4ccc(S(N)(=O)=O)c(C)c4)c3n2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.65
JAK1 P23458 12/20 0.65
TYK2 P29597 10/20 0.65
JAK3 P52333 10/20 0.65
NEK2 P51955 3/20 0.44
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PARP1 P09874 1/20 0.39

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
SCHEMBL11890126 0.91 JAK2 (0.53) JAK2JAK1TYK2JAK3ALOX5AP
SCHEMBL2801987 0.86 JAK2 (0.78) JAK2JAK1TYK2JAK3CA12
SCHEMBL2801182 0.81 JAK2 (0.80) JAK2JAK1TYK2JAK3
SCHEMBL2798916 0.79 JAK2 (0.77) JAK2JAK1TYK2JAK3NEK2
SCHEMBL2795550 0.78 JAK2 (0.75) JAK2JAK1TYK2JAK3NEK2
SCHEMBL2798952 0.78 JAK2 (0.72) JAK2JAK1TYK2JAK3
SCHEMBL2798738 0.78 JAK2 (1.00) JAK2JAK1TYK2JAK3ALOX5AP
SCHEMBL2800131 0.78 JAK2 (0.75) JAK2JAK1TYK2JAK3NEK2
SCHEMBL22511743 0.78 JAK2 (0.68) JAK2JAK1TYK2JAK3NEK2
SCHEMBL2800134 0.77 JAK2 (0.73) JAK2JAK1TYK2JAK3NEK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155201-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 WO disclosed