SCHEMBL28512196

SCHEMBL28512196

CC(C)n1cnnc1-c1cccc(NN)c1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.52

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
SCHEMBL30686028 1.00 MAP3K5 (0.52) MAP3K5
SCHEMBL22474086 0.84 MAP3K5 (0.48) MAP3K5
SCHEMBL23011962 0.78 MAP3K5 (0.47) MAP3K5
SCHEMBL9910778 0.76 L3MBTL1 (0.53) MAP3K5
SCHEMBL20877265 0.72 MAP3K5 (0.44) MAP3K5
SCHEMBL20877566 0.72 MAP3K5 (0.48) MAP3K5
SCHEMBL20877149 0.72 MAP3K5 (0.44) MAP3K5
SCHEMBL20877535 0.72 MAP3K5 (0.47) MAP3K5
SCHEMBL20877227 0.72 MAP3K5 (0.46) MAP3K5
SCHEMBL20877223 0.72 MAP3K5 (0.43) MAP3K5

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-112409332-B Triazole derivative and application thereof in medicines 广东东阳光药业股份有限公司 2023-12-08 CN disclosed
CN-112409332-A Triazole derivative and application thereof in medicines 广东东阳光药业有限公司 2021-02-26 CN disclosed