SCHEMBL7716558

SCHEMBL7716558

COc1ccc(-c2cccc3c2CNC3=O)c(O)c1C(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
KDR P35968 11/20 0.40
CLK4 Q9HAZ1 3/20 0.40
ROCK1 Q13464 3/20 0.40
CDK5 Q00535 2/20 0.40
DYRK1A Q13627 2/20 0.40
PIM1 P11309 1/20 0.40
CSNK1A1 P48729 1/20 0.40
LRRK2 Q5S007 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
PLK4 O00444 2/20 0.39
ROCK2 O75116 2/20 0.39
NTRK1 P04629 2/20 0.39

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
SCHEMBL2584154 0.83 HDAC4 (0.50) PIK3CDPIK3CAPIK3CBKDRCLK4
SCHEMBL7708403 0.78 GSK3B (0.43) KDRCLK4ROCK1PIM1MEN1
SCHEMBL30775234 0.75 CDK5 (0.51) PIK3CDPIK3CAPIK3CBKDRCLK4
SCHEMBL9475835 0.73 CDK5 (0.56) PIK3CDPIK3CAPIK3CBKDRCLK4
SCHEMBL30825444 0.73 CDK5 (0.56) PIK3CDPIK3CAPIK3CBKDRCLK4
SCHEMBL2591611 0.72 HDAC4 (0.39) PIK3CDPIK3CAPIK3CBKDRCLK4
SCHEMBL2591838 0.70 HDAC4 (0.37) PIK3CDPIK3CAPIK3CBKDRCLK4
SCHEMBL2583621 0.70 HDAC4 (0.37) PIK3CDPIK3CAPIK3CBKDRCLK4
SCHEMBL2595302 0.70 HDAC4 (0.41) PIK3CDPIK3CAPIK3CBKDRCLK4
SCHEMBL2584315 0.69 HDAC4 (0.37) PIK3CDPIK3CAPIK3CBKDRCLK4

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