SCHEMBL14280234

SCHEMBL14280234

Cc1cc(Nc2nc3cccc(-c4ccc(CN5CC[S+]([O-])CC5)c(F)c4)c3o2)ccc1C(=O)N(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.70
JAK2 O60674 13/20 0.70
TYK2 P29597 13/20 0.70
JAK3 P52333 12/20 0.70
FLT3 P36888 2/20 0.37
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
FLT1 P17948 1/20 0.36
RPS6KB1 P23443 1/20 0.36
EPHA2 P29317 1/20 0.36
AXL P30530 1/20 0.36

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
SCHEMBL2575576 0.91 JAK1 (0.85) JAK1JAK2TYK2JAK3FLT3
SCHEMBL12172258 0.90 JAK1 (0.71) JAK1JAK2TYK2JAK3FLT3
SCHEMBL12172257 0.83 JAK1 (0.65) JAK1JAK2TYK2JAK3FLT3
SCHEMBL2574413 0.83 JAK1 (1.00) JAK1JAK2TYK2JAK3FLT3
SCHEMBL2571124 0.82 JAK1 (0.75) JAK1JAK2TYK2JAK3ABL1
SCHEMBL2571653 0.81 JAK1 (0.84) JAK1JAK2TYK2JAK3FLT3
SCHEMBL13547637 0.81 JAK1 (0.66) JAK1JAK2TYK2JAK3FLT3
SCHEMBL2574525 0.80 JAK1 (0.70) JAK1JAK2TYK2JAK3
SCHEMBL2574940 0.80 JAK1 (0.83) JAK1JAK2TYK2JAK3FLT3
SCHEMBL13547638 0.78 JAK2 (0.67) 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