SCHEMBL15775696

SCHEMBL15775696

Cc1ccc(-c2cc3ncccc3c(=O)[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.57
TNKS2 Q9H2K2 3/20 0.57
PARP1 P09874 3/20 0.56
CDK5 Q00535 2/20 0.55
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
CDK5R1 Q15078 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
ATAD2 Q6PL18 1/20 0.48
ACVR1 Q04771 2/20 0.47
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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) TNKSTNKS2PARP1CDK5CCNB2
SCHEMBL15775722 0.85 CCNB2 (0.55) TNKSTNKS2PARP1CDK5CCNB2
SCHEMBL15775563 0.85 PARP1 (0.56) TNKSTNKS2PARP1CCNB2CDK1
SCHEMBL15775268 0.85 CCNB2 (0.55) TNKSTNKS2PARP1CCNB2CDK1
SCHEMBL15775264 0.85 RIPK1 (0.52) TNKSTNKS2PARP1HPGDRAB9A
SCHEMBL4773542 0.85 PARP1 (0.59) TNKSTNKS2PARP1CDK5CCNB2
SCHEMBL15775369 0.82 TNKS (0.59) TNKSTNKS2PARP1CCNB2CDK1
SCHEMBL348483 0.82 PTGER3 (0.47) TNKSTNKS2PARP1HPGDRAB9A
Hydrochloric Acid SCHEMBL1646954 0.81 PTGER3 (0.46) TNKSTNKS2PARP1HPGDRAB9A
SCHEMBL7395879 0.78 GAA (0.53) TNKS2PARP1RAB9AATAD2ACVR1

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