SCHEMBL28028909

SCHEMBL28028909

COc1ccccc1Cn1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(C(N)=O)c3)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 8/20 0.55
USP2 O75604 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 1/20 0.54
ESR1 P03372 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
GLA P06280 2/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PIK3CD O00329 6/20 0.52
PIK3CA P42336 4/20 0.51
PIK3CB P42338 4/20 0.51
PIK3CG P48736 4/20 0.51

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
SCHEMBL298237 0.83 KDM4E (0.75) CSNK2A1USP2TSHRMAPK1NPSR1
SCHEMBL15210094 0.78 KDM4E (0.68) CSNK2A1USP2TSHRMAPK1NPSR1
SCHEMBL301153 0.78 CSNK2A1 (0.73) CSNK2A1USP2TSHRMAPK1NPSR1
SCHEMBL28028878 0.77 MTOR (0.48) CSNK2A1USP2TSHRMAPK1NPSR1
SCHEMBL297362 0.77 KDM4E (0.72) CSNK2A1USP2TSHRMAPK1NPSR1
SCHEMBL300894 0.76 PIK3CD (0.71) CSNK2A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL297473 0.76 KDM4E (0.73) CSNK2A1USP2TSHRMAPK1NPSR1
SCHEMBL300901 0.76 KDM4E (0.73) CSNK2A1USP2TSHRMAPK1NPSR1
SCHEMBL28015906 0.76 CSNK2A1 (0.89) CSNK2A1USP2TSHRMAPK1NPSR1
SCHEMBL291568 0.76 CSNK2A1 (0.64) CSNK2A1USP2TSHRMAPK1NPSR1

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