A) Heatmap of primary screen hits. Maximal inhibition of each compound is plotted for each DUB. Compounds are clustered on the x-axis by structural similarity (Tanimoto score). Patches of blue in each of the rows show compound clusters that demonstrate inhibition of the corresponding DUB.
B) UpSet plot summarizing primary screening data. Compounds with activity against at least one DUB, as defined by maximal inhibition ≥ 30%, are clustered by activity against each DUB in the panel. The bar chart represents the number of compounds in a particular cluster, the dot underneath the bar chart correlates that cluster with one or more DUBs (the presence of a single dot correlates to a specific DUB on the left, the presence of multiple dots means those compounds are hits against those particular DUBs). Single DUB hits are colored in red to highlight potentially selective hits in the primary screen for each DUB. The bar chart on the lower left represents the total number of hits for each DUB regardless of selectivity. The top 40 clusters of compounds are shown.