SCHEMBL2593764

SCHEMBL2593764

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OC(=O)CC(C)C2CCCC2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
TARS1 P26639 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
DAPK3 O43293 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
POLQ O75417 1/20 0.34
HPGD P15428 1/20 0.34
LIPG Q9Y5X9 3/20 0.34
TDP2 O95551 1/20 0.34
PRF1 P14222 1/20 0.34
LRRK2 Q5S007 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
BRAF P15056 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL2594355 0.88 MAPKAPK2 (0.39) GSK3BTARS1MAPKAPK2DAPK3NTRK1
SCHEMBL14737469 0.84 HPGD (0.46) GSK3BMAPKAPK2HPGDTDP2PRF1
SCHEMBL2593336 0.82 HPGD (0.44) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2589583 0.81 HPGD (0.45) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL14736918 0.81 GSK3B (0.41) GSK3BTARS1MAPKAPK2DAPK3NTRK1
SCHEMBL2593374 0.80 PRF1 (0.40) GSK3BTARS1MAPKAPK2DAPK3NTRK1
SCHEMBL14737138 0.80 HPGD (0.44) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL14737111 0.79 TDP2 (0.39) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2589744 0.79 MAPKAPK2 (0.39) GSK3BTARS1MAPKAPK2DAPK3NTRK1
SCHEMBL2590843 0.79 MAPT (0.41) GSK3BMAPKAPK2DAPK3NTRK1PIM1

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 claimed