SCHEMBL28028902

SCHEMBL28028902

O=[C]Nc1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.48
PIK3CB P42338 8/20 0.48
PIK3CG P48736 8/20 0.48
PIK3CA P42336 7/20 0.48
KDM4E B2RXH2 4/20 0.40
GLA P06280 2/20 0.40
EPHB4 P54760 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 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
SCHEMBL28029221 0.87 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL28029228 0.87 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL28029232 0.84 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL28029206 0.84 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL300875 0.83 PIK3CD (0.67) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL28028899 0.83 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CAALDH1A1
SCHEMBL28028867 0.83 PIK3CD (0.46) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL28029227 0.83 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL28029229 0.82 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL28029211 0.81 PIK3CD (0.49) 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