SCHEMBL25844360

SCHEMBL25844360

CSN1CCc2cc(-c3cnc4[nH]cc(C)c4c3)cc(C3COCCN3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 16/20 0.40
PIK3CG P48736 3/20 0.35
MET P08581 1/20 0.33

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
SCHEMBL25839986 0.91 MAP3K12 (0.38) MAP3K12PIK3CG
SCHEMBL30068786 0.87 MAP3K12 (0.40) MAP3K12PIK3CG
SCHEMBL25301854 0.86 MAP3K12 (0.37) MAP3K12PIK3CGMET
SCHEMBL25301852 0.86 MAP3K12 (0.37) MAP3K12PIK3CGMET
SCHEMBL30491432 0.86 MAP3K12 (0.37) MAP3K12PIK3CGMET
SCHEMBL25260166 0.85 MAP3K12 (0.43) MAP3K12PIK3CG
SCHEMBL25294829 0.85 PIK3CG (0.42) MAP3K12PIK3CG
SCHEMBL25255501 0.85 MAP3K12 (0.37) MAP3K12PIK3CGMET
SCHEMBL25300376 0.85 MAP3K12 (0.37) MAP3K12PIK3CGMET
SCHEMBL25294828 0.85 PIK3CG (0.42) MAP3K12PIK3CG

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
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed