SCHEMBL9918917

SCHEMBL9918917

CC(C)(C)Nc1cncc(-n2cnc3ccc(NC(=O)c4cccnc4)cc32)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.69
JAK2 O60674 1/20 0.69
STK16 O75716 1/20 0.52
FYN P06241 1/20 0.52
SRC P12931 1/20 0.52
FLT1 P17948 1/20 0.52
KDR P35968 1/20 0.52
BTK Q06187 1/20 0.52
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
MAPK14 Q16539 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL1679406 0.84 JAK3 (0.65) JAK3JAK2STK16FYNSRC
SCHEMBL1679642 0.84 JAK3 (0.71) JAK3JAK2STK16FYNSRC
SCHEMBL4589057 0.84 JAK3 (0.71) JAK3JAK2STK16FYNSRC
SCHEMBL1679643 0.84 JAK3 (0.71) JAK3JAK2STK16FYNSRC
SCHEMBL3148522 0.84 CSF1R (0.56) JAK3JAK2STK16FYNSRC
SCHEMBL1678803 0.81 JAK3 (0.73) JAK3JAK2STK16FYNSRC
SCHEMBL4589805 0.81 JAK3 (1.00) JAK3JAK2STK16FYNSRC
SCHEMBL1678732 0.81 JAK3 (0.76) JAK3JAK2STK16FYNSRC
SCHEMBL1678702 0.81 JAK3 (0.81) JAK3JAK2STK16FYNSRC
SCHEMBL1679418 0.81 JAK3 (0.72) JAK3JAK2STK16FYNSRC

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
EP-1704145-B1 SELECTIVE KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2012-06-13 EP disclosed