SCHEMBL7708403

SCHEMBL7708403

COc1ccc(-c2ccc3c(c2)CNC3=O)c(O)c1C(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
DAPK3 O43293 1/20 0.43
NTRK1 P04629 1/20 0.43
PIM1 P11309 1/20 0.43
FLT3 P36888 1/20 0.43
ROCK1 Q13464 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
TDP2 O95551 2/20 0.41
TARS1 P26639 1/20 0.41
BRAF P15056 1/20 0.40
PRKCI P41743 1/20 0.40
PRF1 P14222 2/20 0.39
POLQ O75417 1/20 0.39
F9 P00740 1/20 0.38
GRM5 P41594 2/20 0.37
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
KDR P35968 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2586002 0.83 GSK3B (0.47) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL7716558 0.78 PIK3CD (0.40) NTRK1PIM1FLT3ROCK1CLK4
SCHEMBL14736918 0.74 GSK3B (0.41) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL2585698 0.73 GSK3B (0.42) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL2594355 0.72 MAPKAPK2 (0.39) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL2591201 0.71 MGAM (0.43) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL2589744 0.71 MAPKAPK2 (0.39) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL14735760 0.70 GSK3B (0.42) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL2581582 0.70 POLQ (0.39) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL14737126 0.70 POLQ (0.39) GSK3BDAPK3NTRK1PIM1FLT3

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