SCHEMBL7682045

SCHEMBL7682045

O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3ccc(F)cc3)n2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.43
CDK4 P11802 2/20 0.41
CSNK1D P48730 6/20 0.40
CSNK1E P49674 6/20 0.40
USP7 Q93009 1/20 0.39
AKT1 P31749 8/20 0.38
AKT2 P31751 8/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
TMIGD3 P0DMS9 1/20 0.38

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
SCHEMBL7676827 0.96 ABCC9 (0.38) CDK2CDK4CSNK1DCSNK1EUSP7
SCHEMBL7679500 0.94 CDK2 (0.43) CDK2CDK4USP7AKT1AKT2
SCHEMBL7676353 0.91 CDK2 (0.42) CDK2CDK4CSNK1DCSNK1EUSP7
SCHEMBL7680034 0.91 CDK2 (0.40) CDK2CDK4USP7AKT1AKT2
SCHEMBL7674349 0.91 TRPV1 (0.40) CDK2CDK4USP7
SCHEMBL7677596 0.91 CDK2 (0.41) CDK2CDK4USP7AKT1AKT2
SCHEMBL7679621 0.89 CDK2 (0.43) CDK2CDK4USP7AKT1AKT2
SCHEMBL7675092 0.89 AKT1 (0.47) CDK2CDK4USP7AKT1AKT2
SCHEMBL7676606 0.89 CDK2 (0.43) CDK2CDK4MAPT
SCHEMBL7673955 0.88 NPC1 (0.42) CDK2USP7AKT1AKT2MAPT

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