SCHEMBL29949481

SCHEMBL29949481

CC(C)n1cnnc1-c1cccc(C(=O)Nc2cc(-n3cnc(C4CC4)c3)ccn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 1.00
MAP3K6 O95382 1/20 0.61

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
SCHEMBL20178926 1.00 MAP3K5 (1.00) MAP3K5MAP3K6
SCHEMBL20178911 0.92 MAP3K5 (0.84) MAP3K5MAP3K6
SCHEMBL20178934 0.90 MAP3K5 (0.82) MAP3K5MAP3K6
SCHEMBL29949189 0.90 MAP3K5 (0.82) MAP3K5MAP3K6
SCHEMBL20178923 0.90 MAP3K5 (0.82) MAP3K5MAP3K6
SCHEMBL28848722 0.90 MAP3K5 (0.82) MAP3K5MAP3K6
SCHEMBL28387723 0.89 MAP3K5 (0.79) MAP3K5MAP3K6
SCHEMBL29977608 0.89 MAP3K5 (0.79) MAP3K5MAP3K6
SCHEMBL20178922 0.87 MAP3K5 (0.77) MAP3K5
SCHEMBL20178927 0.87 MAP3K5 (0.77) MAP3K5MAP3K6

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