Three beam search designs were synthesized and characterized in vitro. We selected them based on their beam search score. From the five most likely designs (Figure ), we selected molecules 1 and 2, which were ranked first and third. Compound 2 showed the highest Tanimoto similarity (Morgan fingerprints) to a known RORγ modulator (Figure ). The scaffolds of both compounds were also prominent among the beam search designs not included in the top 5, suggesting a structural preference. The scaffold of 1 also appeared in the design ranked 6 th . Molecules ranked 10 th and 13 th resembled compound 2. Hence, we additionally chose compound 3 of this abundant chemotype from rank 13 for prospective validation. Compounds 1-3 were synthesized according to Scheme 1.