SCHEMBL15775334

SCHEMBL15775334

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.67
TNKS2 Q9H2K2 13/20 0.67
PARP2 Q9UGN5 7/20 0.67
PARP1 P09874 5/20 0.51
WNT3A P56704 1/20 0.50
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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 0.87 TNKS (0.64) TNKSTNKS2PARP2PARP1KDM4E
SCHEMBL15775359 0.85 TNKS (0.64) TNKSTNKS2PARP2PARP1KDM4E
SCHEMBL15775404 0.85 TNKS (0.64) TNKSTNKS2PARP2PARP1RAB9A
SCHEMBL15775406 0.84 TNKS (0.63) TNKSTNKS2PARP2PARP1RAB9A
SCHEMBL15775172 0.84 TNKS (0.65) TNKSTNKS2PARP2PARP1KDM4E
SCHEMBL15775271 0.84 TNKS (0.65) TNKSTNKS2PARP2PARP1KDM4E
SCHEMBL15775408 0.84 TNKS (0.65) TNKSTNKS2PARP2PARP1KDM4E
SCHEMBL15775277 0.84 TNKS (0.65) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL15775430 0.81 TNKS (0.65) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL7570390 0.81 TNKS (1.00) TNKSTNKS2PARP2PARP1WNT3A

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