SCHEMBL13467117

SCHEMBL13467117

Nc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)ccc1NC(=O)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.55
JAK3 P52333 6/20 0.55
ZAP70 P43403 1/20 0.52
HDAC1 Q13547 3/20 0.52
PDGFRB P09619 2/20 0.49
FLT3 P36888 2/20 0.49
TBK1 Q9UHD2 2/20 0.49
IKBKB O14920 1/20 0.49
KIT P10721 1/20 0.49
PDGFRA P16234 1/20 0.49
FLT1 P17948 1/20 0.49
RPS6KB1 P23443 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
MAP3K9 P80192 1/20 0.49
PLK4 O00444 1/20 0.49
CIT O14578 1/20 0.49
GAK O14976 1/20 0.49

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
SCHEMBL13279503 0.88 JAK2 (0.64) JAK2JAK3ZAP70HDAC1PDGFRB
SCHEMBL12801350 0.87 JAK2 (0.65) JAK2JAK3HDAC1PDGFRBFLT3
SCHEMBL12800926 0.86 JAK2 (0.64) JAK2JAK3HDAC1PDGFRBFLT3
SCHEMBL12801381 0.80 JAK2 (0.62) JAK2JAK3HDAC1PDGFRBFLT3
SCHEMBL12801312 0.80 JAK2 (0.62) JAK2JAK3HDAC1PDGFRBFLT3
SCHEMBL15108156 0.79 JAK2 (0.61) JAK2JAK3ZAP70TBK1SMG1
SCHEMBL12801098 0.79 JAK2 (0.76) JAK2JAK3HDAC1JAK1TYK2
SCHEMBL1669713 0.78 JAK2 (0.77) JAK2JAK3HDAC1PDGFRBFLT3
SCHEMBL30053338 0.77 ZAP70 (0.56) JAK2JAK3ZAP70HDAC1TBK1
SCHEMBL2877271 0.77 ZAP70 (0.56) JAK2JAK3ZAP70HDAC1TBK1

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-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO disclosed