SCHEMBL6812352

SCHEMBL6812352

COc1ccccc1Oc1cnc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.51
PDE3A Q14432 8/20 0.51
PRKD3 O94806 2/20 0.50
MAP4K4 O95819 2/20 0.50
RET P07949 2/20 0.50
PIM1 P11309 2/20 0.50
KDR P35968 2/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
RPS6KA3 P51812 2/20 0.50
CDK5 Q00535 2/20 0.50
MAP4K2 Q12851 2/20 0.50
AURKB Q96GD4 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
CDK1 P06493 1/20 0.50
LYN P07948 1/20 0.50
FER P16591 1/20 0.50
CDK2 P24941 1/20 0.50

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
SCHEMBL6813110 0.86 PRKD3 (0.50) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6813646 0.84 PRKD3 (0.50) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6813312 0.84 PRKD3 (0.50) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6812358 0.82 PDE3B (0.52) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6393066 0.81 PRKD3 (0.60) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6813270 0.81 PDE3B (0.49) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6810653 0.81 PRKD3 (0.50) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6391424 0.81 SCD (0.47) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6813122 0.80 PRKD3 (0.46) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6810640 0.77 MAPT (0.53) PDE3BPDE3APRKD3MAP4K4RET

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-1017384-B1 AZABENZIMIDAZOLE-BASED COMPOUNDS FOR MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION ZENTARIS GMBH (DE) 2004-11-10 EP disclosed