SCHEMBL15775271

SCHEMBL15775271

COc1cccc2c(=O)nc(-c3ccc(N)cc3)[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.65
TNKS2 Q9H2K2 13/20 0.65
PARP1 P09874 7/20 0.65
PARP2 Q9UGN5 6/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
NQO2 P16083 1/20 0.45
NOX1 Q9Y5S8 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42

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
SCHEMBL15775468 0.88 TNKS (0.64) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775359 0.88 TNKS (0.64) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775404 0.88 TNKS (0.64) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775406 0.88 TNKS (0.63) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775408 0.87 TNKS (0.65) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775172 0.87 TNKS (0.65) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775334 0.84 TNKS (0.67) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775263 0.83 TNKS (0.68) TNKSTNKS2PARP1PARP2MEN1
SCHEMBL15775690 0.82 TNKS (0.63) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775482 0.80 PARP1 (0.63) TNKSTNKS2PARP1KDM4EMEN1

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