SCHEMBL16403175

SCHEMBL16403175

COc1ncnc(Cn2cc(C(N)=O)c3ncccc32)c1C

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 5/20 0.73
PDE6A P16499 5/20 0.73
PDE6G P18545 5/20 0.73
PDE6B P35913 5/20 0.73
PDE6C P51160 5/20 0.73
PDE6H Q13956 5/20 0.73
CHRM1 P11229 7/20 0.41
KDM4E B2RXH2 1/20 0.36
PARP1 P09874 2/20 0.35
AHR P35869 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL16395534 0.92 PDE6D (0.73) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16395658 0.89 PDE6D (0.78) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16395228 0.85 PDE6D (0.85) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16405986 0.85 PDE6D (0.85) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16394991 0.85 PDE6D (1.00) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16395338 0.84 PDE6D (0.61) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16405990 0.84 PDE6D (0.82) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16395164 0.83 PDE6D (1.00) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16395288 0.82 PDE6D (0.81) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16405997 0.81 PDE6D (0.80) PDE6DPDE6APDE6GPDE6BPDE6C

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
EP-3021947-A1 AZAINDOLE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING THE SAME Global Alliance For Tb Drug Development (US) 2016-05-25 EP disclosed
WO-2015009525-A1 AZAINDOLE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING THE SAME GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-01-22 WO disclosed