Lithium Ion

Lithium Ion

SCHEMBL789834

COc1ncc(-c2ccc3nc(N)c(C(=O)[O-])cc3c2)cc1NS(=O)(=O)c1cccnc1.[Li+]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 8/20 0.58
PIK3CG P48736 8/20 0.58
PIK3CA P42336 8/20 0.58
MTOR P42345 7/20 0.58
PIK3CD O00329 4/20 0.47
PIK3CB P42338 1/20 0.46

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
SCHEMBL807155 0.92 PIK3CG (0.62) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL789833 0.91 PIK3CG (0.61) PI4KAPIK3CGPIK3CAMTORPIK3CD
Lithium SCHEMBL789835 0.91 PIK3CG (0.61) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL790751 0.88 PIK3CA (0.58) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL790763 0.86 PIK3CG (0.62) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL807470 0.84 PIK3CG (0.55) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL10274897 0.84 PIK3CG (0.54) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL790028 0.84 PI4KA (0.60) PI4KAPIK3CGPIK3CAMTORPIK3CD
Lithium Ion SCHEMBL789804 0.83 PIK3CG (0.73) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL790228 0.82 PI4KA (0.52) PI4KAPIK3CGPIK3CAMTORPIK3CD

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed