SCHEMBL25847105

SCHEMBL25847105

Cc1c[nH]c2ncc(-c3cc4c(c(C5CC(F)CN5)c3)COCC4)cc12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 13/20 0.36
MET P08581 1/20 0.36
LRRK2 Q5S007 1/20 0.35
PIK3CG P48736 2/20 0.34
BTK Q06187 2/20 0.33
ITK Q08881 2/20 0.33
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
SCHEMBL31150716 1.00 MAP3K12 (0.36) MAP3K12METLRRK2PIK3CGBTK
SCHEMBL25855394 0.86 MAP3K12 (0.37) MAP3K12METPIK3CGBTKITK
SCHEMBL25303031 0.86 MAP3K12 (0.39) MAP3K12METPIK3CGABL1
SCHEMBL30068760 0.86 MAP3K12 (0.39) MAP3K12METPIK3CGABL1
SCHEMBL25855231 0.84 MAP3K12 (0.40) MAP3K12METPIK3CGBTKITK
SCHEMBL25302977 0.83 MAP3K12 (0.38) MAP3K12METPIK3CGABL1
SCHEMBL30068603 0.83 MAP3K12 (0.38) MAP3K12METPIK3CGABL1
SCHEMBL25299934 0.83 MAP3K12 (0.38) MAP3K12METPIK3CGABL1
SCHEMBL30068812 0.83 MAP3K12 (0.38) MAP3K12METPIK3CGABL1
SCHEMBL25306277 0.83 MAP3K12 (0.38) MAP3K12METPIK3CGABL1

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