SCHEMBL15775644

SCHEMBL15775644

O=c1nc(-c2ccccc2)[nH]c2c(O)cccc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 10/20 0.60
PARP1 P09874 10/20 0.60
TNKS2 Q9H2K2 10/20 0.60
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
CSNK1D P48730 1/20 0.47
CSNK2A1 P68400 1/20 0.47
DYRK1A Q13627 1/20 0.47
PIM3 Q86V86 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
GUSB P08236 2/20 0.47
ADORA2B P29275 1/20 0.45
GSK3B P49841 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RNASEH1 O60930 1/20 0.44
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 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
SCHEMBL15775567 0.89 PARP1 (0.61) TNKSPARP1TNKS2GUSBADORA2B
SCHEMBL15775241 0.87 TNKS (0.63) TNKSPARP1TNKS2GUSB
SCHEMBL15775482 0.87 PARP1 (0.63) TNKSPARP1TNKS2GUSBADORA2B
SCHEMBL15775381 0.87 TNKS (0.63) TNKSPARP1TNKS2KDM4E
SCHEMBL15775320 0.87 TNKS (0.63) TNKSPARP1TNKS2GUSB
SCHEMBL15775691 0.87 TNKS (0.63) TNKSPARP1TNKS2KDM4E
SCHEMBL15775430 0.83 TNKS (0.65) TNKSPARP1TNKS2
SCHEMBL1387250 0.82 TNKS (0.66) TNKSPARP1TNKS2GUSBADORA2B
SCHEMBL15775475 0.81 TNKS (0.60) TNKSPARP1TNKS2MAP4K4PIM1
SCHEMBL15775406 0.78 TNKS (0.63) TNKSPARP1TNKS2DYRK1AGUSB

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
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed