SCHEMBL28029232

SCHEMBL28029232

O=[C]Nc1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.48
PIK3CB P42338 12/20 0.48
PIK3CG P48736 12/20 0.48
PIK3CA P42336 11/20 0.48
CSNK2A1 P68400 3/20 0.39
HSP90AA1 P07900 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 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
SCHEMBL28029211 0.93 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28029223 0.91 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28029204 0.91 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28028894 0.90 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28029206 0.89 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28299572 0.88 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28029227 0.88 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28029229 0.87 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28029228 0.86 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28028867 0.86 PIK3CD (0.46) 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 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