SCHEMBL7680034

SCHEMBL7680034

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.40
AKT1 P31749 14/20 0.39
AKT2 P31751 14/20 0.39
CDK4 P11802 2/20 0.39
MAPT P10636 1/20 0.39
USP7 Q93009 1/20 0.38
MARK4 Q96L34 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
SCHEMBL7679500 0.93 CDK2 (0.43) CDK2AKT1AKT2CDK4USP7
SCHEMBL7682045 0.91 CDK2 (0.43) CDK2AKT1AKT2CDK4MAPT
SCHEMBL7674349 0.90 TRPV1 (0.40) CDK2CDK4USP7
SCHEMBL7677596 0.90 CDK2 (0.41) CDK2AKT1AKT2CDK4MAPT
SCHEMBL7679621 0.88 CDK2 (0.43) CDK2AKT1AKT2CDK4MAPT
SCHEMBL7675092 0.88 AKT1 (0.47) CDK2AKT1AKT2CDK4MAPT
SCHEMBL7673955 0.87 NPC1 (0.42) CDK2AKT1AKT2MAPTUSP7
SCHEMBL7680199 0.87 TLR7 (0.39) CDK2AKT1AKT2CDK4MAPT
SCHEMBL7680009 0.87 CDK2 (0.39) CDK2AKT1AKT2CDK4USP7
SCHEMBL7676765 0.86 POLB (0.46) CDK2CDK4MAPTMARK4

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