SCHEMBL15775692

SCHEMBL15775692

Cc1cccc2c(=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 14/20 1.00
PARP2 Q9UGN5 4/20 0.75

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
SCHEMBL15775325 0.88 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL15775476 0.87 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL15775474 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL15775949 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL7569320 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL15775251 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2
Bromide SCHEMBL15775842 0.85 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL7566607 0.83 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL7568427 0.83 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL15775274 0.82 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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