SCHEMBL14280328

SCHEMBL14280328

CN1CCN(c2ccc(Nc3nc4cccc(-c5ccc(C(=O)N6CCOCC6)c(F)c5)c4o3)cc2N)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.68
TYK2 P29597 10/20 0.68
JAK2 O60674 10/20 0.68
JAK3 P52333 9/20 0.68
FLT3 P36888 1/20 0.46
ALOX5AP P20292 4/20 0.44
FEN1 P39748 4/20 0.44
RPS6KA2 Q15349 1/20 0.41
WDR5 P61964 2/20 0.41
KMT2A Q03164 2/20 0.41
MTOR P42345 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
SCHEMBL2572197 0.91 JAK1 (0.68) JAK1TYK2JAK2JAK3FLT3
SCHEMBL2571703 0.90 JAK1 (0.84) JAK1TYK2JAK2JAK3FLT3
SCHEMBL2571127 0.84 JAK1 (0.64) JAK1TYK2JAK2JAK3FLT3
SCHEMBL2571721 0.84 JAK1 (0.63) JAK1TYK2JAK2JAK3FLT3
SCHEMBL13547635 0.82 JAK1 (0.72) JAK1TYK2JAK2JAK3FLT3
SCHEMBL2574100 0.81 JAK1 (1.00) JAK1TYK2JAK2JAK3FLT3
SCHEMBL2574940 0.81 JAK1 (0.83) JAK1TYK2JAK2JAK3FLT3
SCHEMBL2573673 0.81 JAK1 (0.79) JAK1TYK2JAK2JAK3FLT3
SCHEMBL2574808 0.81 JAK1 (0.69) JAK1TYK2JAK2JAK3FLT3
SCHEMBL2574306 0.80 JAK1 (0.88) JAK1TYK2JAK2JAK3

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