SCHEMBL15775279

SCHEMBL15775279

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 17/20 1.00
▸ TNKS2 Q9H2K2 17/20 1.00
▸ PARP2 Q9UGN5 5/20 1.00
▸ PARP1 P09874 11/20 0.75
▸ WNT3A P56704 1/20 0.64

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
SCHEMBL17829764 0.91 TNKS (0.82) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL17829734 0.88 TNKS (0.79) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL17829786 0.88 TNKS (0.77) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL17829697 0.87 TNKS (0.77) TNKSTNKS2PARP2PARP1
SCHEMBL17829785 0.86 TNKS (0.75) TNKSTNKS2PARP2PARP1
SCHEMBL16965046 0.86 TNKS (1.00) TNKSTNKS2PARP2PARP1
SCHEMBL17829756 0.85 TNKS (0.74) TNKSTNKS2PARP2PARP1
SCHEMBL17829744 0.85 TNKS (0.74) TNKSTNKS2PARP2PARP1
SCHEMBL15775474 0.85 TNKS (1.00) TNKSTNKS2PARP2PARP1
SCHEMBL15775325 0.85 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 disclosed
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 — — WO disclosed
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