SCHEMBL7677552

SCHEMBL7677552

CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3ccc(F)c(F)c3F)n2c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.32
CDK4 P11802 3/20 0.32
CCNE1 P24864 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDR P35968 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL7681340 0.89 KIF11 (0.33) CDK2CDK4CCNE1CYP2C9KDR
SCHEMBL7674268 0.87 AKT1 (0.39) CDK2CDK4CCNE1CYP2C9AKT1
SCHEMBL7677654 0.86 NTRK1 (0.33) CDK2CDK4CCNE1CYP2C9
SCHEMBL7676621 0.86 CDK2 (0.43) CDK2CDK4CCNE1
SCHEMBL7680630 0.84 AKT1 (0.33) CDK2CDK4CCNE1CYP2C9AKT1
SCHEMBL7673995 0.84 AKT1 (0.33) CDK2CDK4CCNE1CYP2C9AKT1
SCHEMBL7680593 0.84 CDK2 (0.42) CDK2CDK4CCNE1
SCHEMBL7676610 0.83 CYP2C9 (0.35) CDK2CDK4CCNE1CYP2C9AKT1
SCHEMBL7676605 0.83 CYP2C9 (0.35) CDK2CDK4CCNE1CYP2C9AKT1
SCHEMBL7673503 0.82 CDK2 (0.36) CDK2CDK4AKT1AKT2TRPM8

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