SCHEMBL15775474

SCHEMBL15775474

Cc1cccc2c(=O)[nH]c(-c3ccc(F)cc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS O95271 17/20 1.00
TNKS2 Q9H2K2 17/20 1.00
PARP2 Q9UGN5 6/20 1.00
PARP1 P09874 11/20 0.79
MGAM O43451 1/20 0.65
GAA P10253 1/20 0.65
SI P14410 1/20 0.65
MGAM2 Q2M2H8 1/20 0.65

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) TNKSTNKS2PARP2PARP1
SCHEMBL15775476 0.87 TNKS (1.00) TNKSTNKS2PARP2PARP1
SCHEMBL17833232 0.86 TNKS (0.75) TNKSTNKS2PARP2PARP1
SCHEMBL15775692 0.86 TNKS (1.00) TNKSTNKS2PARP2PARP1
SCHEMBL15775949 0.86 TNKS (1.00) TNKSTNKS2PARP2PARP1MGAM
SCHEMBL15775251 0.86 TNKS (1.00) TNKSTNKS2PARP2PARP1
SCHEMBL7569320 0.86 TNKS (1.00) TNKSTNKS2PARP2PARP1MGAM
SCHEMBL15775279 0.85 TNKS (1.00) TNKSTNKS2PARP2PARP1
SCHEMBL165829 0.83 TNKS (1.00) TNKSTNKS2PARP2PARP1
SCHEMBL7566607 0.83 TNKS (1.00) TNKSTNKS2PARP2PARP1

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