SCHEMBL6399865

SCHEMBL6399865

O=c1[nH]c2cc(Oc3cccc(C(F)(F)F)c3)cnc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 4/20 0.48
KIF11 P52732 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BRAF P15056 5/20 0.45
SCN9A Q15858 1/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
RET P07949 2/20 0.44
PIM1 P11309 2/20 0.44
KDR P35968 2/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
RPS6KA3 P51812 2/20 0.44
CDK5 Q00535 2/20 0.44
MAP4K2 Q12851 2/20 0.44
AURKB Q96GD4 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
PLK4 O00444 1/20 0.44

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
SCHEMBL6394889 0.86 PDE3B (0.46) CDK8BRAFSCN9APRKD3MAP4K4
SCHEMBL6818056 0.83 PRKD3 (0.50) CDK8BRAFPRKD3MAP4K4RET
SCHEMBL6393066 0.81 PRKD3 (0.60) CDK8PRKD3MAP4K4RETPIM1
SCHEMBL6813275 0.81 LYN (0.56) CDK8ALDH1A1L3MBTL1PRKD3MAP4K4
SCHEMBL6813266 0.81 PRKD3 (0.47) CDK8PRKD3MAP4K4RETPIM1
SCHEMBL6813270 0.81 PDE3B (0.49) CDK8ALDH1A1PRKD3MAP4K4RET
SCHEMBL28736423 0.78 PLK4 (0.65) PRKD3MAP4K4RETPIM1KDR
SCHEMBL29636092 0.78 PLK4 (0.65) PRKD3MAP4K4RETPIM1KDR
SCHEMBL29636088 0.78 PLK4 (0.65) PRKD3MAP4K4RETPIM1KDR
SCHEMBL6814159 0.78 AKR1C3 (0.52) CDK8POLBBRAFPRKD3MAP4K4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855723-B2 Methods of modulating serine/threonine protein kinase function with azabenzimidazole-based compounds ZENTARIS GMBH (DE) 2005-02-15 US disclosed
EP-1017384-B1 AZABENZIMIDAZOLE-BASED COMPOUNDS FOR MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION ZENTARIS GMBH (DE) 2004-11-10 EP disclosed