SCHEMBL28848720

SCHEMBL28848720

Cc1cnc(N)cc1-n1cnc(C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 19/20 0.42
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 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
SCHEMBL29949178 0.86 MAP3K5 (0.43) MAP3K5
SCHEMBL25619955 0.86 MAP3K5 (0.43) MAP3K5
SCHEMBL28848832 0.83 MAP3K5 (0.40) MAP3K5
SCHEMBL28848815 0.82 MAP3K5 (0.39) MAP3K5
SCHEMBL28410269 0.80 MAP3K5 (0.45) MAP3K5
SCHEMBL25619965 0.79 MAP3K5 (0.52) MAP3K5
SCHEMBL29978259 0.78 MAP3K5 (0.53) MAP3K5
SCHEMBL28391289 0.78 MAP3K5 (0.53) MAP3K5
SCHEMBL28848716 0.77 MAP3K5 (0.43) MAP3K5
SCHEMBL29949153 0.77 NOS3 (0.39) MAP3K5NOS3NOS1NOS2

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