SCHEMBL28028896

SCHEMBL28028896

CC(C)Cn1c(=O)[nH]c2c(N[C]=O)nc(-c3cccc(O)c3)nc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.49
PIK3CB P42338 15/20 0.45
PIK3CG P48736 15/20 0.45
PIK3CA P42336 14/20 0.45
MTOR P42345 1/20 0.43
TLR9 Q9NR96 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38

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 0.85 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL28821909 0.85 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL28028872 0.82 TLR7 (0.49) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL300868 0.81 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28028895 0.81 PIK3CA (0.55) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL28029219 0.81 PIK3CD (0.44) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL28029229 0.80 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL28028879 0.80 PIK3CD (0.43) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL28029227 0.79 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL28029206 0.78 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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