SCHEMBL3397266

SCHEMBL3397266

COc1ccc(CNc2cc(-c3c(C)cc(C#N)cc3C)ccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 7/20 0.56
DYRK1A Q13627 3/20 0.56
CLK1 P49759 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
KCNH2 Q12809 5/20 0.45
VNN1 O95497 2/20 0.44
PDE5A O76074 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL439371 0.84 CLK4 (0.66) CLK4DYRK1ACLK1VNN1PDE5A
SCHEMBL3399312 0.83 CLK4 (0.57) CLK4DYRK1ACLK1MAPK13MAPK12
SCHEMBL3363498 0.78 CLK4 (0.54) CLK4DYRK1ACLK1MAPK13MAPK12
SCHEMBL953773 0.76 TSHR (0.56) CLK4DYRK1ACLK1VNN1PDE5A
SCHEMBL8422251 0.75 MEN1 (0.68) CLK4DYRK1ACLK1
SCHEMBL13425582 0.75 KCNH2 (0.56) CLK4DYRK1AMAPK13MAPK12MAPK11
SCHEMBL13426113 0.74 KCNH2 (0.54) CLK4DYRK1AMAPK14KCNH2TSHR
SCHEMBL20489508 0.74 CLK4 (0.48) CLK4DYRK1ACLK1VNN1PDE5A
SCHEMBL20489546 0.74 CLK4 (0.48) CLK4DYRK1ACLK1VNN1PDE5A
SCHEMBL22122521 0.73 PDE5A (0.56) CLK4DYRK1AVNN1PDE5ATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed