SCHEMBL28028879

SCHEMBL28028879

COc1cccc(Cn2c(=O)[nH]c3c(N[C]=O)nc(-c4cccc(O)c4)nc32)c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.43
PIK3CA P42336 9/20 0.43
PIK3CB P42338 9/20 0.43
PIK3CG P48736 9/20 0.43
MTOR P42345 1/20 0.43
GRIN1 Q05586 5/20 0.39
GRIN2B Q13224 5/20 0.39
ROCK2 O75116 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL28198845 0.87 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL28028886 0.87 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL28029225 0.87 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL28028872 0.84 TLR7 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL28028882 0.84 MTOR (0.59) MTORUSP2LMNATP53MAPT
SCHEMBL28029238 0.83 MTOR (0.44) MTORGRIN1GRIN2BUSP2LMNA
SCHEMBL28948857 0.83 GRIN1 (0.46) MTORGRIN1GRIN2BUSP2LMNA
SCHEMBL28029224 0.82 MTOR (0.43) MTORGRIN1GRIN2BUSP2LMNA
SCHEMBL28029222 0.82 CYP1A2 (0.54) MTORGRIN1GRIN2BUSP2LMNA
SCHEMBL28029216 0.82 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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