SCHEMBL15775720

SCHEMBL15775720

O=c1nc(-c2ccc(C(F)(F)F)cc2)[nH]c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.54
TNKS2 Q9H2K2 5/20 0.54
WNT3A P56704 2/20 0.54
PARP2 Q9UGN5 2/20 0.50
PARP1 P09874 2/20 0.50
TRPV1 Q8NER1 1/20 0.46
NPY5R Q15761 1/20 0.44
COMT P21964 1/20 0.44
DGAT1 O75907 1/20 0.43
KCNH2 Q12809 1/20 0.43
CTSS P25774 1/20 0.43
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
SCN2A Q99250 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42

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
SCHEMBL15776205 0.83 ADORA2A (0.55) TNKSTNKS2PARP1MAPT
SCHEMBL15775972 0.82 TNKS (0.51) TNKSTNKS2PARP1TRPV1RAB9A
SCHEMBL15775287 0.82 TNKS (0.51) TNKSTNKS2PARP2PARP1NPY5R
SCHEMBL3237120 0.80 TRPV1 (0.56) TNKSTNKS2WNT3ATRPV1NPY5R
SCHEMBL15775354 0.79 TNKS (0.62) TNKSTNKS2WNT3APARP2PARP1
SCHEMBL15775723 0.78 TNKS2 (0.65) TNKSTNKS2WNT3APARP2PARP1
SCHEMBL15775277 0.75 TNKS (0.65) TNKSTNKS2WNT3APARP2PARP1
SCHEMBL15775430 0.75 TNKS (0.65) TNKSTNKS2WNT3APARP2PARP1
SCHEMBL5434565 0.74 TNKS2 (0.67) TNKSTNKS2WNT3APARP2PARP1
SCHEMBL10742407 0.74 CCNB2 (0.51) TNKSTNKS2WNT3APARP1TRPV1

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