SCHEMBL29180129

SCHEMBL29180129

CCCCNC(=O)Nc1nc(C)c(-c2ccc(OC)c(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c2)s1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.61
PIK3CG P48736 6/20 0.60
PI4KB Q9UBF8 13/20 0.54
PIK3CA P42336 3/20 0.51
PIK3CB P42338 1/20 0.51
PIK3C2G O75747 2/20 0.50
PIK3C3 Q8NEB9 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
SCHEMBL30792221 0.90 PI4KB (0.61) PIK3CDPIK3CGPI4KBPIK3CAPIK3C2G
SCHEMBL30792173 0.89 PI4KB (0.60) PIK3CDPIK3CGPI4KBPIK3CAPIK3C2G
SCHEMBL48438 0.81 PIK3CD (0.80) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL29180114 0.80 PI4KB (0.62) PIK3CDPIK3CGPI4KBPIK3CAPIK3C2G
SCHEMBL29180153 0.78 PI4KB (0.53) PIK3CDPIK3CGPI4KBPIK3C2G
SCHEMBL29265081 0.78 PIK3CD (0.66) PIK3CDPIK3CGPI4KBPIK3CAPIK3C2G
SCHEMBL14851648 0.77 PI4KB (0.81) PIK3CDPIK3CGPI4KBPIK3CAPIK3C2G
SCHEMBL29180145 0.76 PI4KB (0.52) PIK3CDPIK3CGPI4KBPIK3C2G
SCHEMBL48677 0.76 PIK3CD (1.00) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL22336672 0.76 PIK3CD (0.83) PIK3CDPIK3CGPI4KBPIK3CAPIK3C2G

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534631-B Phenylthiazole amine PI4KIII beta inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-04-05 CN claimed
CN-117534631-A Phenylthiazole amine PI4KIII beta inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-02-09 CN claimed
CN-117534631-B Phenylthiazole amine PI4KIII beta inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-04-05 CN disclosed
CN-117534631-A Phenylthiazole amine PI4KIII beta inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-02-09 CN disclosed