SCHEMBL27840967

SCHEMBL27840967

O=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.69
▸ MAPT P10636 8/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ POLB P06746 3/20 0.48
▸ GFER P55789 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HTR6 P50406 1/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ RECQL P46063 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PYGM P11217 1/20 0.45
▸ KDM1A O60341 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
SCHEMBL27838809 0.90 PIK3CA (0.62) PIK3CAMAPTSMN1; SMN2POLBGFER
SCHEMBL27840940 0.90 PIK3CA (0.76) PIK3CAMAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL27841038 0.90 PIK3CA (0.65) PIK3CAMAPTSMN1; SMN2MAPK1POLB
SCHEMBL27840965 0.86 PIK3CA (0.76) PIK3CAMAPTSMN1; SMN2MAPK1POLB
SCHEMBL27840941 0.86 PIK3CA (0.58) PIK3CAMAPTPOLBGFERKDM4E
SCHEMBL27840956 0.86 PIK3CA (0.61) PIK3CAMAPTSMN1; SMN2POLBGFER
SCHEMBL28795809 0.80 PIK3CA (0.66) PIK3CAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL27840960 0.80 PIK3CA (0.57) PIK3CAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL27819106 0.80 PIK3CA (0.66) PIK3CAMAPTSMN1; SMN2POLBKDM4E
SCHEMBL27819107 0.80 PIK3CA (0.54) PIK3CAMAPTSMN1; SMN2MAPK1POLB

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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