SCHEMBL28028869

SCHEMBL28028869

O=[C]Nc1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.68
PIK3CG P48736 16/20 0.68
PIK3CB P42338 14/20 0.68
PIK3CD O00329 13/20 0.68
MAP3K11 Q16584 1/20 0.43
MTOR P42345 3/20 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
SCHEMBL28029209 0.99 PIK3CA (0.67) PIK3CAPIK3CGPIK3CBPIK3CDMAP3K11
SCHEMBL28028885 0.92 PIK3CA (0.58) PIK3CAPIK3CGPIK3CBPIK3CDMAP3K11
SCHEMBL28029218 0.92 PIK3CG (0.60) PIK3CAPIK3CGPIK3CBPIK3CDMAP3K11
SCHEMBL28873588 0.87 PIK3CA (0.67) PIK3CAPIK3CGPIK3CBPIK3CDMAP3K11
SCHEMBL28298250 0.87 PIK3CA (0.66) PIK3CAPIK3CGPIK3CBPIK3CDMAP3K11
SCHEMBL28785408 0.84 PIK3CA (0.73) PIK3CAPIK3CGPIK3CBPIK3CDMAP3K11
SCHEMBL28028895 0.83 PIK3CA (0.55) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28029240 0.83 PIK3CB (0.48) PIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL28028870 0.82 PIK3CB (0.47) PIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL300949 0.81 PIK3CB (1.00) PIK3CAPIK3CGPIK3CBPIK3CD

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