SCHEMBL7680199

SCHEMBL7680199

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.39
MTOR P42345 1/20 0.39
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
CDK2 P24941 3/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MCHR1 Q99705 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
FAAH O00519 1/20 0.37
IGF2BP2 Q9Y6M1 1/20 0.37
CDK4 P11802 1/20 0.37
GRK6 P43250 1/20 0.37
USP7 Q93009 1/20 0.36
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
MAPT P10636 1/20 0.36
CTNNB1 P35222 1/20 0.36

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
SCHEMBL7673955 0.90 NPC1 (0.42) AKT1AKT2CDK2USP7MAPT
SCHEMBL7679500 0.90 CDK2 (0.43) AKT1AKT2CDK2CDK4USP7
SCHEMBL7676480 0.90 NAMPT (0.39) CDK2IGF2BP2CDK4
SCHEMBL7675092 0.89 AKT1 (0.47) AKT1AKT2CDK2CDK4USP7
SCHEMBL7682045 0.88 CDK2 (0.43) AKT1AKT2CDK2CDK4USP7
SCHEMBL7677596 0.87 CDK2 (0.41) AKT1AKT2CDK2CDK4USP7
SCHEMBL7674349 0.87 TRPV1 (0.40) CDK2MCHR1CDK4USP7
SCHEMBL7680034 0.87 CDK2 (0.40) AKT1AKT2CDK2CDK4USP7
SCHEMBL7680009 0.86 CDK2 (0.39) AKT1AKT2CDK2CDK4USP7
SCHEMBL7676765 0.84 POLB (0.46) CDK2CDK4MAPT

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