SCHEMBL28848812

SCHEMBL28848812

COC(=O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.51
AKT1 P31749 5/20 0.40

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
SCHEMBL30433737 0.86 MAP3K5 (0.53) MAP3K5AKT1
SCHEMBL20557223 0.86 MAP3K5 (0.53) MAP3K5AKT1
SCHEMBL28648080 0.86 MAP3K5 (0.43) MAP3K5AKT1
SCHEMBL29949315 0.86 MAP3K5 (0.43) MAP3K5AKT1
SCHEMBL15811764 0.85 MAP3K5 (0.50) MAP3K5AKT1
SCHEMBL30433824 0.85 MAP3K5 (0.50) MAP3K5AKT1
SCHEMBL30433332 0.84 MAP3K5 (0.45) MAP3K5AKT1
SCHEMBL15811799 0.84 MAP3K5 (0.45) MAP3K5AKT1
SCHEMBL28654034 0.81 MAP3K5 (0.48) MAP3K5
SCHEMBL28848841 0.81 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 2 patents. 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
CN-113831323-A Aromatic heterocyclic amide compound and application thereof 武汉人福创新药物研发中心有限公司 2021-12-24 CN disclosed