SCHEMBL25855394

SCHEMBL25855394

COCC1CN[C@H](c2cc(-c3cnc4[nH]cc(C)c4c3)cc3c2COCC3)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 11/20 0.37
MET P08581 1/20 0.34
MAP4K1 Q92918 3/20 0.33
IL2 P60568 2/20 0.33
PIK3CG P48736 2/20 0.32
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
BTK Q06187 1/20 0.32
ITK Q08881 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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 0.86 MAP3K12 (0.36) MAP3K12METPIK3CGBTKITK
SCHEMBL25847105 0.86 MAP3K12 (0.36) MAP3K12METPIK3CGBTKITK
SCHEMBL25303031 0.83 MAP3K12 (0.39) MAP3K12METMAP4K1IL2PIK3CG
SCHEMBL30068760 0.83 MAP3K12 (0.39) MAP3K12METMAP4K1IL2PIK3CG
SCHEMBL25855231 0.81 MAP3K12 (0.40) MAP3K12METPIK3CGBTKITK
SCHEMBL25299934 0.81 MAP3K12 (0.38) MAP3K12METMAP4K1IL2PIK3CG
SCHEMBL30491391 0.81 MAP3K12 (0.38) MAP3K12METMAP4K1IL2PIK3CG
SCHEMBL25306277 0.81 MAP3K12 (0.38) MAP3K12METMAP4K1IL2PIK3CG
SCHEMBL30068812 0.81 MAP3K12 (0.38) MAP3K12METMAP4K1IL2PIK3CG
SCHEMBL25302977 0.81 MAP3K12 (0.38) MAP3K12METMAP4K1IL2PIK3CG

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