SCHEMBL3836696

SCHEMBL3836696

CN(C)c1cc(I)c2c(c1)CNC2=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.32
FYN P06241 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
DAPK3 O43293 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
ROCK1 Q13464 1/20 0.31
AURKA O14965 2/20 0.31
APP P05067 1/20 0.31
MAPT P10636 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
KDR P35968 1/20 0.30

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
SCHEMBL3835406 0.76 PARP1 (0.45)
SCHEMBL3835512 0.75 KDR (0.41) CLK4DYRK1BDAPK3NTRK1PIM1
SCHEMBL3840001 0.75 PARP10 (0.36) CLK4DYRK1BNTRK1PIM1FLT3
SCHEMBL3836136 0.75 PARP1 (0.31)
SCHEMBL3836958 0.74 PARP1 (0.36)
SCHEMBL3836901 0.74 GRM5 (0.37) CLK4DYRK1BPIK3CDPIK3CAPIK3CB
SCHEMBL3837295 0.74 AURKA (0.37) CLK4DYRK1BNTRK1FLT3GSK3B
SCHEMBL31158957 0.74 GRM5 (0.37) CLK4DYRK1BPIK3CDPIK3CAPIK3CB
SCHEMBL3835742 0.74 AURKA (0.37) CLK4DYRK1BPIK3CDPIK3R1PIK3CA
SCHEMBL3837257 0.73 PDE3B (0.43) PIK3CDPIK3CAPIK3CBPIK3CGAURKA

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-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed