SCHEMBL29949178

SCHEMBL29949178

Cc1cnc(Cl)cc1-n1cnc(C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.43

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
SCHEMBL25619955 1.00 MAP3K5 (0.43) MAP3K5
SCHEMBL28848720 0.86 MAP3K5 (0.42) MAP3K5
SCHEMBL29948962 0.83 MAP3K5 (0.42) MAP3K5
SCHEMBL15811865 0.83 MAP3K5 (0.42) MAP3K5
SCHEMBL28848833 0.82 MAP3K5 (0.36) MAP3K5
SCHEMBL30433322 0.80 MAP3K5 (0.45) MAP3K5
SCHEMBL20557444 0.80 MAP3K5 (0.45) MAP3K5
SCHEMBL25619965 0.79 MAP3K5 (0.52) MAP3K5
SCHEMBL23339998 0.79 CYP2E1 (0.39)
SCHEMBL18027905 0.75 MAP3K5 (0.55) 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 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