SCHEMBL7706729

SCHEMBL7706729

CCc1ccc(-c2cccc3c2CNC3=O)c(OCC(C)C)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.37
ROCK1 Q13464 3/20 0.37
CDK5 Q00535 2/20 0.37
DYRK1A Q13627 2/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK1A1 P48729 1/20 0.37
LRRK2 Q5S007 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
LTK P29376 1/20 0.36
MST1R Q04912 1/20 0.36
KDR P35968 12/20 0.36
PLK4 O00444 2/20 0.35
ROCK2 O75116 2/20 0.35
NTRK1 P04629 2/20 0.35
MET P08581 2/20 0.35
ROS1 P08922 2/20 0.35

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
SCHEMBL2591611 0.88 HDAC4 (0.39) CLK4ROCK1CDK5DYRK1APIK3CD
SCHEMBL2593048 0.77 KDR (0.36) CLK4ROCK1CDK5DYRK1APIK3CD
SCHEMBL2593301 0.74 KDR (0.35) CLK4ROCK1PIK3CDPIK3CAPIK3CB
SCHEMBL2583621 0.74 HDAC4 (0.37) CLK4ROCK1CDK5DYRK1APIK3CD
SCHEMBL2588932 0.74 KDR (0.36) CLK4ROCK1PIK3CDPIK3CAPIK3CB
SCHEMBL2583911 0.73 KDR (0.34) CLK4ROCK1CDK5DYRK1APIK3CD
SCHEMBL2588602 0.72 CLK4 (0.40) CLK4ROCK1CDK5DYRK1APIK3CD
SCHEMBL2595302 0.72 HDAC4 (0.41) CLK4ROCK1CDK5DYRK1APIK3CD
SCHEMBL2588342 0.72 KDR (0.33) CLK4ROCK1CDK5DYRK1APIK3CD
SCHEMBL2591838 0.72 HDAC4 (0.37) CLK4ROCK1CDK5DYRK1APIK3CD

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-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO disclosed