SCHEMBL27840965

SCHEMBL27840965

COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.76
▸ MAPT P10636 9/20 0.56
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ TP53 P04637 3/20 0.53
▸ POLB P06746 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ NPY5R Q15761 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ LMNA P02545 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
SCHEMBL27819109 0.90 PIK3CA (0.66) PIK3CAMAPTKMT2AMEN1TP53
SCHEMBL27858464 0.90 PIK3CA (0.69) PIK3CAMAPTKMT2AMEN1TP53
SCHEMBL28795786 0.90 PIK3CA (0.69) PIK3CAMAPTKMT2AMEN1TP53
SCHEMBL27858474 0.87 PIK3CA (0.62) PIK3CAMAPTKMT2AMEN1TP53
SCHEMBL27840967 0.86 PIK3CA (0.69) PIK3CAMAPTKMT2AMEN1TP53
SCHEMBL14488046 0.83 PKM (0.66) PIK3CAKMT2AMEN1POLBHTT
SCHEMBL27840940 0.83 PIK3CA (0.76) PIK3CAMAPTKMT2AMEN1HTT
SCHEMBL27841038 0.77 PIK3CA (0.65) PIK3CAMAPTKMT2AMEN1TP53
SCHEMBL27838809 0.77 PIK3CA (0.62) PIK3CAMAPTTP53POLBHTT
SCHEMBL27840956 0.77 PIK3CA (0.61) PIK3CAMAPTKMT2AMEN1TP53

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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