SCHEMBL27840960

SCHEMBL27840960

Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.57
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ TTR P02766 1/20 0.51
▸ PIK3CD O00329 2/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ MAPT P10636 7/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ NPY5R Q15761 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL27841038 0.90 PIK3CA (0.65) PIK3CAMEN1KMT2APIK3CDPIK3CB
SCHEMBL27819107 0.88 PIK3CA (0.54) PIK3CAMEN1KMT2ATTRPIK3CD
SCHEMBL28795809 0.88 PIK3CA (0.66) PIK3CAMEN1KMT2APIK3CDPIK3CB
SCHEMBL28795786 0.87 PIK3CA (0.69) PIK3CAMEN1KMT2APIK3CDPIK3CB
SCHEMBL27858464 0.87 PIK3CA (0.69) PIK3CAMEN1KMT2APIK3CDPIK3CB
SCHEMBL27840962 0.82 PIK3CA (0.48) PIK3CAMEN1KMT2APIK3CDPIK3CB
SCHEMBL1794443 0.82 MEN1 (0.73) PIK3CAMEN1KMT2ATTRPIK3CD
SCHEMBL27840967 0.80 PIK3CA (0.69) PIK3CAMEN1KMT2AMAPTLMNA
SCHEMBL14488194 0.78 PIK3CA (0.61) PIK3CAMEN1KMT2AMAPTLMNA
SCHEMBL27838809 0.76 PIK3CA (0.62) PIK3CAMAPTHTTSMN1; SMN2ABCG2

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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