SCHEMBL15775274

SCHEMBL15775274

COc1cccc2c(=O)[nH]c(-c3ccc(N)cc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNKS O95271 17/20 1.00
TNKS2 Q9H2K2 17/20 1.00
PARP1 P09874 10/20 1.00
PARP2 Q9UGN5 7/20 0.79

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
SCHEMBL15775361 0.88 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL7568249 0.88 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL165829 0.88 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL1387257 0.88 TNKS (1.00) TNKSTNKS2PARP1PARP2
Hydrochloric Acid SCHEMBL28060794 0.87 TNKS (0.97) TNKSTNKS2PARP1PARP2
SCHEMBL11102850 0.87 TNKS (0.79) TNKSTNKS2PARP1PARP2
SCHEMBL15775173 0.87 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL15775410 0.87 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL7570159 0.84 TNKS (0.73) TNKSTNKS2PARP1PARP2
SCHEMBL7570390 0.84 TNKS (1.00) TNKSTNKS2PARP1PARP2

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