SCHEMBL15775472

SCHEMBL15775472

Cc1cccc2c(=O)nc(-c3ccc(F)cc3)[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNKS O95271 16/20 0.63
TNKS2 Q9H2K2 16/20 0.63
PARP2 Q9UGN5 6/20 0.63
MGAM O43451 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
PARP1 P09874 10/20 0.49
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL15775324 0.88 TNKS (0.61) TNKSTNKS2PARP2PARP1KDM4E
SCHEMBL15775475 0.87 TNKS (0.60) TNKSTNKS2PARP2GAAPARP1
SCHEMBL15775249 0.86 TNKS (0.63) TNKSTNKS2PARP2PARP1
SCHEMBL15775690 0.86 TNKS (0.63) TNKSTNKS2PARP2PARP1KDM4E
SCHEMBL15775352 0.86 TNKS (0.63) TNKSTNKS2PARP2MGAMGAA
SCHEMBL15775947 0.86 TNKS (0.63) TNKSTNKS2PARP2MGAMGAA
SCHEMBL15775277 0.85 TNKS (0.65) TNKSTNKS2PARP2PARP1
SCHEMBL15775351 0.83 TNKS (0.64) TNKSTNKS2PARP2PARP1KDM4E
SCHEMBL15775468 0.83 TNKS (0.64) TNKSTNKS2PARP2PARP1KDM4E
SCHEMBL15775381 0.83 TNKS (0.63) TNKSTNKS2PARP2PARP1KDM4E

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