SCHEMBL28848813

SCHEMBL28848813

NC(=O)Oc1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.47
AKT1 P31749 3/20 0.45

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
SCHEMBL29949159 0.81 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL21461062 0.81 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL28848733 0.81 MAP3K5 (0.42) MAP3K5
SCHEMBL28848716 0.81 MAP3K5 (0.43) MAP3K5
SCHEMBL28848725 0.80 MAP3K5 (0.46) MAP3K5AKT1
SCHEMBL28848841 0.80 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL29949150 0.80 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL28848702 0.79 MAP3K5 (0.38) MAP3K5AKT1
SCHEMBL21461037 0.74 MAP3K5 (0.49) MAP3K5AKT1
SCHEMBL21649348 0.73 MAP3K5 (0.55) MAP3K5AKT1

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
CN-110036005-B Amide derivatives and their use in medicine 广东东阳光药业有限公司 2022-09-27 CN disclosed