SCHEMBL15775563

SCHEMBL15775563

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.56
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
TNKS O95271 2/20 0.51
GUSB P08236 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
PDE10A Q9Y233 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.49
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
SERPINE1 P05121 1/20 0.43
NR4A2 P43354 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAOB P27338 1/20 0.42
ALDH1A1 P00352 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 0.86 ADORA2A (0.59) PARP1CCNB2CDK1CCNB1CCNB3
SCHEMBL15775696 0.85 TNKS (0.57) PARP1CCNB2CDK1CCNB1CCNB3
SCHEMBL15775722 0.85 CCNB2 (0.55) PARP1CCNB2CDK1CCNB1CCNB3
SCHEMBL15775264 0.85 RIPK1 (0.52) PARP1TNKSTNKS2PARP2KDM4E
SCHEMBL15775268 0.85 CCNB2 (0.55) PARP1CCNB2CDK1CCNB1CCNB3
SCHEMBL4773542 0.82 PARP1 (0.59) PARP1CCNB2CDK1CCNB1CCNB3
SCHEMBL15775369 0.82 TNKS (0.59) PARP1CCNB2CDK1CCNB1CCNB3
SCHEMBL6648545 0.78 PARP1 (0.47) PARP1TNKSGUSBTNKS2PARP2
SCHEMBL12385912 0.78 PARP1 (0.51) PARP1TNKSTNKS2PARP2KDM4E
SCHEMBL13495429 0.77 PIK3CD (0.53) PARP1TNKSTNKS2PARP2KMT2A

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