The collaboration combined Intellikine’s work in X-ray crystal-structure-guided medicinal chemistry and drug discovery with Numerate’s computational drug design platform to identify potent, selective and drug-like inhibitors of PI3 kinase alpha, an important target in cancer therapy.

To discover the novel lead compounds, Numerate scientists ran their platform on Amazon’s Elastic Compute Cloud (EC2), enabling them to search through hundreds of millions of compounds to identify those with the highest probability of activity against PI3K. Those compounds were then synthesized and their inhibitory activity and other properties verified in the laboratory.

‘Numerate has demonstrated that its data-driven drug design technology can deliver high-quality, novel chemical scaffolds rapidly and cost effectively,’ said Troy Wilson, President and CEO of Intellikine. ‘These impressive results significantly expand our chemical diversity and further strengthen our proprietary position in an exciting area of anti-cancer research.’

‘It was a privilege to work with Intellikine, which is moving rapidly ahead against a very promising target in cancer,’ stated Guido Lanza, President and CEO of Numerate. ‘Our collaboration illustrates the power of our technology platform to add value to a company’s pipeline and intellectual property position.’