SCHEMBL7680211

SCHEMBL7680211

Nc1nc2ccc(C(=O)c3ccccc3)cn2c1-c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.60
CDK4 P11802 9/20 0.58
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
USP7 Q93009 3/20 0.45
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44

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
SCHEMBL7682754 0.96 CDK2 (0.58) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7676687 0.95 CDK2 (0.52) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7683359 0.91 CDK2 (0.59) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7673429 0.90 CDK2 (0.56) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7680762 0.89 CDK2 (0.58) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7673606 0.88 CDK2 (0.54) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7676756 0.88 CDK2 (0.56) CDK2CDK4USP7AKT1AKT2
SCHEMBL7673598 0.87 CDK2 (0.59) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7676709 0.87 USP7 (0.60) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7673486 0.87 CDK2 (0.59) 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