SCHEMBL28028870

SCHEMBL28028870

O=[C]Nc1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 14/20 0.47
PIK3CG P48736 14/20 0.47
PIK3CA P42336 14/20 0.47
PIK3CD O00329 13/20 0.47
CSNK2A1 P68400 2/20 0.36
ADORA1 P30542 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL28029240 0.99 PIK3CB (0.48) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28298217 0.89 PIK3CB (0.47) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28299566 0.88 PIK3CB (0.47) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28029232 0.85 PIK3CD (0.48) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL300811 0.84 PIK3CB (0.69) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28029209 0.83 PIK3CA (0.67) PIK3CBPIK3CGPIK3CAPIK3CDADORA1
SCHEMBL28029206 0.83 PIK3CD (0.48) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL300948 0.83 PIK3CB (0.70) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28029227 0.82 PIK3CD (0.47) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28029211 0.82 PIK3CD (0.49) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1

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