Fig. 4

The filtered molecules after the first round of virtual screening with the pharmacophore model for Pim1 and the molecular docking model for CDK4 and -PMF. a t-SNE plot of CDK4 inhibitors (blue), Pim1 inhibitors (green), abemaciclib (red), inactive molecules (magenta) and screened molecules (yellow). b Number of the most similar molecules compared to the seven target molecules