SCHEMBL14280248

SCHEMBL14280248

C[S+]([O-])c1ccc(Nc2nc3cccc(-c4ccc(CC(N)=O)cc4)c3o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.45
JAK2 O60674 12/20 0.45
TYK2 P29597 10/20 0.45
JAK3 P52333 8/20 0.45
BRAF P15056 1/20 0.43
FLT3 P36888 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RPS6KA2 Q15349 2/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2571831 0.84 JAK1 (0.58) JAK1JAK2TYK2JAK3FLT3
SCHEMBL12172320 0.79 JAK1 (0.71) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL12172231 0.78 JAK1 (0.67) JAK1JAK2TYK2JAK3BRAF
SCHEMBL14280367 0.76 JAK1 (0.65) JAK1JAK2TYK2JAK3FLT3
SCHEMBL14280403 0.73 JAK2 (0.47) JAK1JAK2TYK2JAK3
SCHEMBL20458123 0.71 NPC1 (0.60) FLT3NPSR1ALDH1A1
SCHEMBL2573644 0.71 JAK1 (0.65) JAK1JAK2TYK2JAK3FLT3
SCHEMBL2575954 0.71 JAK2 (0.59) JAK1JAK2TYK2JAK3
SCHEMBL2573586 0.69 JAK2 (0.64) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL2571744 0.69 TYK2 (0.70) JAK1JAK2TYK2JAK3FLT3

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-2008031594-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2008-03-20 WO disclosed