SCHEMBL29265053

SCHEMBL29265053

COc1ccc(-c2sc(NC(=O)CC(C)C)nc2C)cc1S(=O)(=O)NCCCCCCC(=O)NO

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 15/20 0.62
▸ PIK3CD O00329 4/20 0.61
▸ PIK3CG P48736 3/20 0.61
▸ PIK3C2G O75747 2/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PIK3C3 Q8NEB9 1/20 0.48

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
SCHEMBL29265060 0.97 PIK3CD (0.63) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL29265058 0.88 PIK3CD (0.64) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL29265071 0.87 PI4KB (0.51) PI4KBPIK3CDPIK3CG
SCHEMBL29265065 0.82 PIK3CD (0.81) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL29265081 0.80 PIK3CD (0.66) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL29180114 0.79 PI4KB (0.62) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL30792173 0.78 PI4KB (0.60) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL1545939 0.78 PIK3CD (0.81) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL17889626 0.77 PI4KB (1.00) PI4KBPIK3CDPIK3CGPIK3C2G
SCHEMBL30792221 0.77 PI4KB (0.61) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA

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
CN-118221610-A Phenylthiazole amine PI4KIII beta/HDAC double-target inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-06-21 — — CN claimed
CN-118221610-A Phenylthiazole amine PI4KIII beta/HDAC double-target inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-06-21 — — CN disclosed
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