SCHEMBL7713989

SCHEMBL7713989

CCNC(=O)OCC(C)(C)COc1c(-c2ccc3c(c2)CNC3=O)ccc(CC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.37
GSK3B P49841 2/20 0.36
PRKCI P41743 1/20 0.35
PRF1 P14222 3/20 0.35
MAPKAPK2 P49137 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
DAPK3 O43293 1/20 0.34
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
KIT P10721 1/20 0.32
AKT1 P31749 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
BRAF P15056 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
TARS1 P26639 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL2594193 0.91 POLQ (0.37) POLQGSK3BPRKCIPRF1MAPKAPK2
SCHEMBL7716439 0.76 PRF1 (0.43) POLQPRF1
SCHEMBL14735876 0.76 PDE4D (0.42) PRF1
SCHEMBL2592836 0.76 GSK3B (0.40) POLQGSK3BPRKCIPRF1MAPKAPK2
SCHEMBL7712360 0.75 MAPKAPK2 (0.39) POLQGSK3BPRKCIPRF1MAPKAPK2
SCHEMBL2584273 0.75 MAPKAPK2 (0.39) POLQGSK3BPRKCIPRF1MAPKAPK2
SCHEMBL2594611 0.74 POLQ (0.36) POLQGSK3BPRKCIPRF1MAPKAPK2
SCHEMBL2591921 0.74 POLQ (0.39) POLQGSK3BPRKCIPRF1MAPKAPK2
SCHEMBL7712835 0.74 GSK3B (0.40) POLQGSK3BPRKCIPRF1MAPKAPK2
SCHEMBL2593343 0.73 PRKCI (0.41) POLQGSK3BPRKCIPRF1MAPKAPK2

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