SCHEMBL25844391

SCHEMBL25844391

Cc1c[nH]c2ncc(-c3cc4c(c([C@@H]5COCCN5)c3)CNCC4)cc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 15/20 0.39
MET P08581 1/20 0.38
MAP4K1 Q92918 1/20 0.37
PIK3CG P48736 2/20 0.34
ABL1 P00519 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
SCHEMBL25855231 0.89 MAP3K12 (0.40) MAP3K12METPIK3CGABL1
SCHEMBL30068616 0.87 MET (0.39) MAP3K12METMAP4K1PIK3CGABL1
SCHEMBL25842800 0.87 MET (0.39) MAP3K12METMAP4K1PIK3CGABL1
SCHEMBL25840924 0.87 MET (0.39) MAP3K12METMAP4K1PIK3CGABL1
SCHEMBL30068960 0.87 MET (0.39) MAP3K12METMAP4K1PIK3CGABL1
SCHEMBL30068786 0.83 MAP3K12 (0.40) MAP3K12PIK3CG
SCHEMBL25844360 0.83 MAP3K12 (0.40) MAP3K12METPIK3CG
SCHEMBL25301852 0.82 MAP3K12 (0.37) MAP3K12METPIK3CG
SCHEMBL30491432 0.82 MAP3K12 (0.37) MAP3K12METPIK3CG
SCHEMBL25301854 0.82 MAP3K12 (0.37) MAP3K12METPIK3CG

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