SCHEMBL7683354

SCHEMBL7683354

CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(-c3cc(F)ccc3F)n2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.42
CDK4 P11802 9/20 0.42
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
KIF11 P52732 1/20 0.36
MAPK14 Q16539 1/20 0.35

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
SCHEMBL7680593 0.88 CDK2 (0.42) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7676881 0.88 CDK2 (0.41) CDK2CDK4
SCHEMBL7683036 0.86 CDK2 (0.41) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7681340 0.84 KIF11 (0.33) CDK2CDK4CCNE1KIF11MAPK14
SCHEMBL7676327 0.83 CDK2 (0.58) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7676921 0.83 AKT1 (0.45) CDK2CDK4
SCHEMBL7673974 0.81 CDK2 (0.60) CDK2CDK4
SCHEMBL7680064 0.78 USP7 (0.41) CDK2CDK4
SCHEMBL7676656 0.77 CDK2 (0.48) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7676802 0.77 CDK2 (0.59) CDK2CDK4

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