SCHEMBL7683036

SCHEMBL7683036

CNC(=O)C=C(c1ccccc1)c1ccc2nc(N)c(-c3cc(F)cc(F)c3)n2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.41
CDK4 P11802 10/20 0.41
AKT1 P31749 2/20 0.37
AKT2 P31751 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
USP7 Q93009 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 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
SCHEMBL7676921 0.90 AKT1 (0.45) CDK2CDK4AKT1AKT2USP7
SCHEMBL7683354 0.86 CDK2 (0.42) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7680064 0.84 USP7 (0.41) CDK2CDK4AKT1AKT2PIK3CD
SCHEMBL7680630 0.83 AKT1 (0.33) CDK2CDK4AKT1AKT2PIK3CD
SCHEMBL7673995 0.83 AKT1 (0.33) CDK2CDK4AKT1AKT2PIK3CD
SCHEMBL7676881 0.83 CDK2 (0.41) CDK2CDK4AKT1AKT2USP7
SCHEMBL7680593 0.83 CDK2 (0.42) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7680762 0.82 CDK2 (0.58) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7673974 0.81 CDK2 (0.60) CDK2CDK4
SCHEMBL7681426 0.80 CDK2 (0.46) CDK2CDK4AKT1AKT2CDK1

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