SCHEMBL20097147

SCHEMBL20097147

CC(C)C(=O)n1cnc2c(NCc3ccco3)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 5/20 0.68
CDK1 P06493 5/20 0.68
CCNB1 P14635 5/20 0.68
CCNB3 Q8WWL7 5/20 0.68
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 3/20 0.52
PAX8 Q06710 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
LMNA P02545 2/20 0.52
SLC29A1 Q99808 1/20 0.52
MITF O75030 1/20 0.52
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
AURKB Q96GD4 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46

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
SCHEMBL21311333 0.88 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL20097149 0.81 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL20119629 0.79 CDK1 (0.72) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL20097160 0.78 CCNB2 (0.69) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL20097047 0.77 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL20119633 0.76 HTT (0.67) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL31711715 0.75 CCNB2 (0.66) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL31711714 0.75 HTT (0.66) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL63354 0.74 CDK1 (0.61) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL457250 0.73 HTT (0.67) CCNB2CDK1CCNB1CCNB3HTT

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-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 WO disclosed