SCHEMBL7683137

SCHEMBL7683137

Nc1nc2ccc(C(=O)c3ccccc3)cn2c1-c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.52
CDK4 P11802 9/20 0.50
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41

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
SCHEMBL7676581 0.88 CDK2 (0.54) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7677550 0.87 CDK2 (0.58) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7676327 0.85 CDK2 (0.58) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7676881 0.84 CDK2 (0.41) CDK2CDK4
SCHEMBL7678725 0.84 CDK2 (0.54) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7676795 0.84 CDK2 (0.39) CDK2CDK4
SCHEMBL7680801 0.81 CDK2 (0.60) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7682151 0.80 CDK2 (0.45) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7675176 0.80 CDK2 (0.61) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7682025 0.80 CDK2 (0.66) CDK2CDK4CDK1CCNB1CCND1

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
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed