SCHEMBL28028872

SCHEMBL28028872

COc1ccc(Cn2c(=O)[nH]c3c(N[C]=O)nc(-c4cccc(O)c4)nc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.49
MTOR P42345 2/20 0.48
PIK3CD O00329 6/20 0.46
PIK3CA P42336 5/20 0.46
PIK3CB P42338 5/20 0.46
PIK3CG P48736 5/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NUDT1 P36639 1/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL28029216 0.90 PIK3CD (0.49) TLR7MTORPIK3CDPIK3CAPIK3CB
SCHEMBL28028886 0.88 PIK3CD (0.40) TLR7MTORPIK3CDPIK3CAPIK3CB
SCHEMBL28029225 0.88 PIK3CD (0.40) TLR7MTORPIK3CDPIK3CAPIK3CB
SCHEMBL28028879 0.84 PIK3CD (0.43) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28028896 0.82 PIK3CD (0.49) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28029207 0.79 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL28028868 0.78 NUDT1 (0.52) TLR7MTORALDH1A1MAPTMEN1
SCHEMBL28299576 0.78 PIK3CD (0.48) TLR7MTORPIK3CDPIK3CAPIK3CB
SCHEMBL28028895 0.77 PIK3CA (0.55) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28821909 0.77 PIK3CD (0.48) MTORPIK3CDPIK3CAPIK3CBPIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107976546-A Inhibition of phosphorylation to TOR kinase inhibiting activities mark PRAS40, GSK3- β or P70S6K1 西格诺药品有限公司 2018-05-01 CN disclosed
CN-104870998-B inhibition of phosphorylation of PRAS40, GSK3- β or P70S6K1 as a marker of TOR kinase inhibitory activity 西格诺药品有限公司 2018-02-02 CN disclosed
CN-104870998-A Inhibition of phosphorylation of PRAS40, GSK 3-beta or P70S6K1 as a marker of TOR kinase inhibitory activity SIGNAL PHARM LLC 2015-08-26 CN disclosed