SCHEMBL14280210

SCHEMBL14280210

COc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)c3o2)cc(OC)c1O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.73
JAK2 O60674 12/20 0.73
TYK2 P29597 10/20 0.73
JAK3 P52333 8/20 0.73
FLT3 P36888 1/20 0.50
RPS6KA2 Q15349 6/20 0.48

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
SCHEMBL2571528 0.93 JAK1 (0.84) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2574802 0.85 JAK1 (1.00) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2573827 0.81 JAK1 (0.81) JAK1JAK2TYK2JAK3FLT3
SCHEMBL2575972 0.79 JAK1 (0.83) JAK1JAK2TYK2JAK3FLT3
SCHEMBL2573420 0.77 JAK1 (0.74) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2571869 0.76 JAK1 (0.84) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2574062 0.76 JAK1 (0.73) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL14279988 0.76 JAK1 (0.75) JAK1JAK2TYK2JAK3FLT3
SCHEMBL2571023 0.75 JAK1 (0.72) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2573673 0.74 JAK1 (0.79) 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