SCHEMBL28795786

SCHEMBL28795786

COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.69
▸ PIK3CG P48736 2/20 0.59
▸ PIK3CD O00329 1/20 0.59
▸ PIK3CB P42338 1/20 0.59
▸ MAPT P10636 7/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ HTT P42858 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ NPY5R Q15761 1/20 0.47
▸ ACP1 P24666 1/20 0.47

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
SCHEMBL27858464 1.00 PIK3CA (0.69) PIK3CAPIK3CGPIK3CDPIK3CBMAPT
SCHEMBL27840965 0.90 PIK3CA (0.76) PIK3CAPIK3CGPIK3CDPIK3CBMAPT
SCHEMBL27819109 0.88 PIK3CA (0.66) PIK3CAPIK3CGPIK3CDPIK3CBMAPT
SCHEMBL27858474 0.88 PIK3CA (0.62) PIK3CAPIK3CGPIK3CDPIK3CBMAPT
SCHEMBL27840960 0.87 PIK3CA (0.57) PIK3CAPIK3CGPIK3CDPIK3CBMAPT
SCHEMBL27841038 0.86 PIK3CA (0.65) PIK3CAPIK3CGPIK3CDPIK3CBMAPT
SCHEMBL28795809 0.84 PIK3CA (0.66) PIK3CAPIK3CGPIK3CDPIK3CBMAPT
SCHEMBL14488046 0.79 PKM (0.66) PIK3CASMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL27840962 0.77 PIK3CA (0.48) PIK3CAPIK3CGPIK3CDPIK3CBMAPT
SCHEMBL27840967 0.77 PIK3CA (0.69) PIK3CAMAPTSMN1; SMN2ALDH1A1GAA

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-102250022-B Substituted quinoxalinamine compounds, and preparation method and application thereof UNIV ZHEJIANG 2013-10-16 — — CN claimed
CN-102250022-A Substituted quinoxalinamine compounds, and preparation method and application thereof UNIV ZHEJIANG 2011-11-23 — — CN claimed
CN-102250022-B Substituted quinoxalinamine compounds, and preparation method and application thereof UNIV ZHEJIANG 2013-10-16 — — CN disclosed
CN-102250022-A Substituted quinoxalinamine compounds, and preparation method and application thereof UNIV ZHEJIANG 2011-11-23 — — CN disclosed
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