Sugi Predict

Sugi Predict / Compounds / SCHEMBL9954610

SCHEMBL9954610

SCHEMBL9954610

COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1cccc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 17/20 1.00
▸ PIK3CG P48736 15/20 1.00
▸ PIK3CA P42336 1/20 0.54
▸ MTOR P42345 1/20 0.54
▸ PIK3CD O00329 1/20 0.53

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
SCHEMBL9959146 0.94 PI4KA (0.88) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9952600 0.92 PI4KA (0.88) PI4KAPIK3CGPIK3CD
SCHEMBL9959551 0.92 PI4KA (0.88) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL9954755 0.92 PI4KA (1.00) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL9953744 0.91 PI4KA (0.86) PI4KAPIK3CGPIK3CD
SCHEMBL10288793 0.90 PI4KA (0.84) PI4KAPIK3CGPIK3CA
SCHEMBL10288663 0.90 PI4KA (1.00) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL9953319 0.89 PI4KA (0.86) PI4KAPIK3CGPIK3CD
SCHEMBL10288694 0.89 PI4KA (0.82) PI4KAPIK3CGPIK3CA
SCHEMBL9953227 0.89 PI4KA (0.90) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 — — WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 — — WO disclosed