SCHEMBL15775369

SCHEMBL15775369

O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)cc2ncccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.59
PARP1 P09874 3/20 0.59
CCNB2 O95067 1/20 0.58
CDK1 P06493 1/20 0.58
CCNB1 P14635 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CCNB3 Q8WWL7 1/20 0.58
TNKS2 Q9H2K2 4/20 0.54
WNT3A P56704 1/20 0.54
MAOB P27338 1/20 0.45
SYK P43405 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
PARP2 Q9UGN5 2/20 0.44
NPY5R Q15761 1/20 0.44
TOP1 P11387 1/20 0.42
SCN2A Q99250 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 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
SCHEMBL8602417 0.83 ADORA2A (0.59) TNKSPARP1CCNB2CDK1CCNB1
SCHEMBL15775268 0.82 CCNB2 (0.55) TNKSPARP1CCNB2CDK1CCNB1
SCHEMBL15775696 0.82 TNKS (0.57) TNKSPARP1CCNB2CDK1CCNB1
SCHEMBL15775722 0.82 CCNB2 (0.55) TNKSPARP1CCNB2CDK1CCNB1
SCHEMBL15775563 0.82 PARP1 (0.56) TNKSPARP1CCNB2CDK1CCNB1
SCHEMBL15775264 0.82 RIPK1 (0.52) TNKSPARP1TNKS2PARP2ADORA2A
SCHEMBL4773542 0.78 PARP1 (0.59) TNKSPARP1CCNB2CDK1CCNB1
SCHEMBL4763725 0.77 TNKS (0.64) TNKSPARP1TNKS2WNT3AMAOB
SCHEMBL15775421 0.75 TNKS (0.73) TNKSPARP1TNKS2WNT3APARP2
SCHEMBL12385912 0.74 PARP1 (0.51) TNKSPARP1TNKS2PARP2NPY5R

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