SCHEMBL6814293

SCHEMBL6814293

O=c1[nH]c2cc(Nc3ccccc3F)cnc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.51
PRKD3 O94806 2/20 0.51
MAP4K4 O95819 2/20 0.51
RET P07949 2/20 0.51
PIM1 P11309 2/20 0.51
KDR P35968 2/20 0.51
GSK3A P49840 2/20 0.51
GSK3B P49841 2/20 0.51
RPS6KA3 P51812 2/20 0.51
CDK5 Q00535 2/20 0.51
MAP4K2 Q12851 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
CDK1 P06493 1/20 0.51
LYN P07948 1/20 0.51
FER P16591 1/20 0.51
CDK2 P24941 1/20 0.51
MARK3 P27448 1/20 0.51
FLT4 P35916 1/20 0.51

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
SCHEMBL6813318 0.83 AURKB (0.53) AURKBPRKD3MAP4K4RETPIM1
SCHEMBL6810849 0.83 AURKB (0.51) AURKBPRKD3MAP4K4RETPIM1
SCHEMBL6392625 0.83 AURKB (0.48) AURKBPRKD3MAP4K4RETPIM1
SCHEMBL6810640 0.81 MAPT (0.53) AURKBPRKD3MAP4K4RETPIM1
SCHEMBL6392629 0.81 PRKD3 (0.62) AURKBPRKD3MAP4K4RETPIM1
SCHEMBL6813584 0.80 PIM1 (0.51) AURKBPRKD3MAP4K4RETPIM1
SCHEMBL6813639 0.80 PRKD3 (0.50) AURKBPRKD3MAP4K4RETPIM1
SCHEMBL6813901 0.78 PRKD3 (0.51) AURKBPRKD3MAP4K4RETPIM1
SCHEMBL6813646 0.74 PRKD3 (0.50) AURKBPRKD3MAP4K4RETPIM1
SCHEMBL6818052 0.72 PRKD3 (0.49) AURKBPRKD3MAP4K4RETPIM1

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