SCHEMBL6812358

SCHEMBL6812358

COc1ccc(Oc2cnc3[nH]c(=O)[nH]c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.52
PDE3A Q14432 15/20 0.52
PRKD3 O94806 2/20 0.47
MAP4K4 O95819 2/20 0.47
RET P07949 2/20 0.47
PIM1 P11309 2/20 0.47
KDR P35968 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
RPS6KA3 P51812 2/20 0.47
CDK5 Q00535 2/20 0.47
MAP4K2 Q12851 2/20 0.47
AURKB Q96GD4 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47

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
SCHEMBL6814616 0.88 PRKD3 (0.47) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6813270 0.87 PDE3B (0.49) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6814320 0.85 PRKD3 (0.47) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6813587 0.85 PRKD3 (0.47) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6393066 0.85 PRKD3 (0.60) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL29636083 0.82 GSK3A (0.66) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6812352 0.82 PDE3B (0.51) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6394889 0.82 PDE3B (0.46) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6817971 0.82 PRKD3 (0.47) PDE3BPDE3APRKD3MAP4K4RET
SCHEMBL6810523 0.81 HSPB1 (0.44) 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