SCHEMBL28848732

SCHEMBL28848732

NC(=O)Oc1cc(-n2cnc(C3CC3)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.42

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
SCHEMBL21461157 0.82 MAP3K5 (0.52) MAP3K5
SCHEMBL235293 0.77 MAP3K5 (0.52) MAP3K5
SCHEMBL28848711 0.77 MEN1 (0.38) MAP3K5
SCHEMBL28848716 0.76 MAP3K5 (0.43) MAP3K5
SCHEMBL28848733 0.76 MAP3K5 (0.42) MAP3K5
SCHEMBL28848714 0.76 MAP3K5 (0.42) MAP3K5
Hydrochloric Acid SCHEMBL28657089 0.76 MAP3K5 (0.51) MAP3K5
SCHEMBL28668610 0.76 MAP3K5 (0.53) MAP3K5
SCHEMBL21461103 0.76 MAP3K5 (0.52) MAP3K5
SCHEMBL28609594 0.76 CYP17A1 (0.33) 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