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Sugi Predict / Compounds / SCHEMBL7681318

SCHEMBL7681318

SCHEMBL7681318

N#CC=C(c1ccccc1)c1ccc2nc(N)c(-c3ccccc3)n2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.53
▸ CDK4 P11802 4/20 0.53
▸ USP7 Q93009 4/20 0.41
▸ AKT1 P31749 9/20 0.39
▸ AKT2 P31751 9/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39

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
SCHEMBL7681314 1.00 CDK2 (0.53) CDK2CDK4USP7AKT1AKT2
SCHEMBL7676564 0.81 CDK2 (0.49) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7676568 0.81 CDK2 (0.49) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7683359 0.80 CDK2 (0.59) CDK2CDK4USP7AKT1AKT2
SCHEMBL7680600 0.80 CDK2 (0.50) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7680602 0.80 CDK2 (0.50) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7467961 0.79 AKT1 (0.56) CDK2CDK4USP7AKT1AKT2
SCHEMBL7679992 0.79 CDK2 (0.47) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7679995 0.79 CDK2 (0.47) CDK2CDK4PDE4APDE4BPDE4C
SCHEMBL7676921 0.78 AKT1 (0.45) CDK2CDK4USP7AKT1AKT2

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