SCHEMBL15775475

SCHEMBL15775475

Cc1cccc2c(=O)nc(-c3ccccc3)[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 11/20 0.60
TNKS2 Q9H2K2 11/20 0.60
PARP1 P09874 7/20 0.60
KDM4E B2RXH2 1/20 0.55
RPA1 P27694 1/20 0.49
MCL1 Q07820 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
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
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46
PARP2 Q9UGN5 4/20 0.46
ADORA2B P29275 1/20 0.45

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
SCHEMBL15775324 0.89 TNKS (0.61) TNKSTNKS2PARP1KDM4EPARP2
SCHEMBL15775472 0.87 TNKS (0.63) TNKSTNKS2PARP1KDM4EGAA
SCHEMBL15775352 0.87 TNKS (0.63) TNKSTNKS2PARP1GAAPARP2
SCHEMBL15775690 0.87 TNKS (0.63) TNKSTNKS2PARP1KDM4ENPC1
SCHEMBL15775249 0.87 TNKS (0.63) TNKSTNKS2PARP1MAPTPARP2
SCHEMBL15775947 0.87 TNKS (0.63) TNKSTNKS2PARP1GAAPARP2
SCHEMBL15775351 0.84 TNKS (0.64) TNKSTNKS2PARP1KDM4ENPC1
Bromide SCHEMBL15775841 0.83 TNKS (0.65) TNKSTNKS2PARP1KDM4EPARP2
SCHEMBL15775277 0.83 TNKS (0.65) TNKSTNKS2PARP1RAB9APARP2
SCHEMBL15775528 0.82 TNKS (0.66) TNKSTNKS2PARP1MAPTNPC1

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