SCHEMBL28848815

SCHEMBL28848815

COc1cnc(N)cc1-n1cnc(C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.39
TRPC6 Q9Y210 15/20 0.36
SUV39H2 Q9H5I1 1/20 0.35

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
SCHEMBL28663432 0.83 MAP3K5 (0.41) MAP3K5TRPC6
SCHEMBL28848720 0.82 MAP3K5 (0.42) MAP3K5
SCHEMBL29949144 0.80 MAP3K5 (0.41) MAP3K5TRPC6
SCHEMBL28658716 0.80 MAP3K5 (0.41) MAP3K5TRPC6
SCHEMBL28848702 0.80 MAP3K5 (0.38) MAP3K5TRPC6
SCHEMBL28848832 0.80 MAP3K5 (0.40) MAP3K5
SCHEMBL28648080 0.79 MAP3K5 (0.43) MAP3K5
SCHEMBL29949315 0.79 MAP3K5 (0.43) MAP3K5
SCHEMBL28660361 0.79 MAP3K5 (0.43) MAP3K5
Hydrochloric Acid SCHEMBL28656984 0.79 MAP3K5 (0.41) 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