SCHEMBL30068960

SCHEMBL30068960

Cc1c[nH]c2ncc(-c3cc4c(c(C5CCCN5)c3)CNCC4)cc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.39
MAP4K1 Q92918 1/20 0.38
PIK3CG P48736 4/20 0.36
ABL1 P00519 1/20 0.35
MAP3K12 Q12852 9/20 0.34
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
BTK Q06187 2/20 0.33
ITK Q08881 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL25840924 1.00 MET (0.39) METMAP4K1PIK3CGABL1MAP3K12
SCHEMBL25842800 1.00 MET (0.39) METMAP4K1PIK3CGABL1MAP3K12
SCHEMBL30068616 1.00 MET (0.39) METMAP4K1PIK3CGABL1MAP3K12
SCHEMBL25844391 0.87 MAP3K12 (0.39) METMAP4K1PIK3CGABL1MAP3K12
SCHEMBL25302977 0.86 MAP3K12 (0.38) METMAP4K1PIK3CGABL1MAP3K12
SCHEMBL30491391 0.86 MAP3K12 (0.38) METMAP4K1PIK3CGABL1MAP3K12
SCHEMBL30068603 0.86 MAP3K12 (0.38) METMAP4K1PIK3CGABL1MAP3K12
SCHEMBL25306277 0.86 MAP3K12 (0.38) METMAP4K1PIK3CGABL1MAP3K12
SCHEMBL30068812 0.86 MAP3K12 (0.38) METMAP4K1PIK3CGABL1MAP3K12
SCHEMBL25299934 0.86 MAP3K12 (0.38) METMAP4K1PIK3CGABL1MAP3K12

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-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO disclosed