SCHEMBL28028899

SCHEMBL28028899

O=[C]Nc1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccc(C(F)(F)F)c1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.49
PIK3CB P42338 11/20 0.49
PIK3CG P48736 11/20 0.49
PIK3CA P42336 10/20 0.49
CSNK2A1 P68400 5/20 0.39
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
MAP3K11 Q16584 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
SCHEMBL28029228 0.93 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28028867 0.86 PIK3CD (0.46) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28028902 0.83 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300833 0.83 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28028873 0.83 PIK3CD (0.58) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28029232 0.83 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28029206 0.83 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28029211 0.82 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28029227 0.82 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28029229 0.81 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1

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