SCHEMBL28795809

SCHEMBL28795809

O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.66
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 6/20 0.46
▸ THRB P10828 1/20 0.46
▸ ABCG2 Q9UNQ0 3/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ HTT P42858 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ TP53 P04637 1/20 0.42

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) PIK3CAMEN1KMT2AMAPTABCG2
SCHEMBL27840940 0.90 PIK3CA (0.76) PIK3CAMEN1KMT2AMAPTTHRB
SCHEMBL27819106 0.88 PIK3CA (0.66) PIK3CAMEN1KMT2AMAPTTHRB
SCHEMBL27840960 0.88 PIK3CA (0.57) PIK3CAMEN1KMT2AMAPTABCG2
SCHEMBL27858466 0.87 PIK3CA (0.62) PIK3CAMEN1KMT2AMAPTTHRB
SCHEMBL28795786 0.84 PIK3CA (0.69) PIK3CAMEN1KMT2AMAPTABCG2
SCHEMBL27858464 0.84 PIK3CA (0.69) PIK3CAMEN1KMT2AMAPTABCG2
SCHEMBL1792192 0.82 MEN1 (0.73) PIK3CAMEN1KMT2AMAPTPIK3CD
SCHEMBL27840967 0.80 PIK3CA (0.69) PIK3CAMEN1KMT2AMAPTHTT
SCHEMBL14488194 0.78 PIK3CA (0.61) PIK3CAMEN1KMT2AMAPTHTT

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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