SCHEMBL14280208

SCHEMBL14280208

CCNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCN(C(C)=O)CC5)c(F)c4)c3o2)cc1C

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.73
JAK2 O60674 13/20 0.73
TYK2 P29597 13/20 0.73
JAK3 P52333 12/20 0.73
KDM4E B2RXH2 1/20 0.38
RPS6KA2 Q15349 4/20 0.38
FLT3 P36888 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
SCHEMBL2574189 0.90 JAK1 (0.73) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL12172204 0.87 JAK1 (0.66) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2575965 0.84 JAK1 (1.00) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2572213 0.83 JAK1 (0.92) JAK1JAK2TYK2JAK3
SCHEMBL12172234 0.82 JAK1 (0.84) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2575451 0.82 JAK1 (0.84) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2575781 0.82 JAK1 (0.86) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2574413 0.81 JAK1 (1.00) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2571627 0.81 JAK1 (0.73) JAK1JAK2TYK2JAK3RPS6KA2
SCHEMBL2571758 0.81 JAK1 (0.82) JAK1JAK2TYK2JAK3RPS6KA2

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