SCHEMBL17599586

SCHEMBL17599586

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC2CC2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
POLQ O75417 1/20 0.41
DAPK3 O43293 1/20 0.41
NTRK1 P04629 1/20 0.41
PIM1 P11309 1/20 0.41
FLT3 P36888 1/20 0.41
ROCK1 Q13464 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
PRKCI P41743 1/20 0.40
TDP2 O95551 2/20 0.39
BRAF P15056 1/20 0.38
PDE4D Q08499 2/20 0.37
LRRK2 Q5S007 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE4B Q07343 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 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
SCHEMBL2591859 0.96 GSK3B (0.40) GSK3BPOLQDAPK3NTRK1PIM1
SCHEMBL2592264 0.88 POLQ (0.41) GSK3BPOLQDAPK3NTRK1PIM1
SCHEMBL2591027 0.85 GSK3B (0.43) GSK3BPOLQDAPK3NTRK1PIM1
SCHEMBL2593124 0.85 MAPKAPK2 (0.45) GSK3BPOLQDAPK3NTRK1PIM1
SCHEMBL2588354 0.85 GSK3B (0.39) GSK3BPOLQDAPK3NTRK1PIM1
SCHEMBL2585698 0.83 GSK3B (0.42) GSK3BPOLQDAPK3NTRK1PIM1
SCHEMBL2591435 0.83 GSK3B (0.42) GSK3BPOLQDAPK3NTRK1PIM1
SCHEMBL14734764 0.83 MAPKAPK2 (0.44) GSK3BPOLQDAPK3NTRK1PIM1
SCHEMBL14735760 0.83 GSK3B (0.42) GSK3BPOLQDAPK3NTRK1PIM1
SCHEMBL14736777 0.83 POLQ (0.38) GSK3BPOLQDAPK3NTRK1PIM1

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-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed