SCHEMBL19254805

SCHEMBL19254805

NC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)nc2c1[nH]c(=O)n2-c1cccc(C(=O)O)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 15/20 0.85
MAPT P10636 2/20 0.64
TP53 P04637 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
ESR1 P03372 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.62
PIK3CD O00329 2/20 0.60
PIK3CA P42336 2/20 0.60
PIK3CB P42338 2/20 0.60
PIK3CG P48736 2/20 0.60
CSNK2A2 P19784 1/20 0.59
CSNK2B P67870 1/20 0.59
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL19254305 0.89 CSNK2A1 (0.70) CSNK2A1MAPTTP53NPSR1USP2
SCHEMBL297749 0.88 CSNK2A1 (0.87) CSNK2A1MAPTUSP2LMNATSHR
SCHEMBL19254727 0.87 CSNK2A1 (0.65) CSNK2A1MAPTTP53NPSR1USP2
SCHEMBL19254310 0.87 CSNK2A1 (0.72) CSNK2A1MAPTTP53NPSR1USP2
SCHEMBL19254726 0.84 CSNK2A1 (0.61) CSNK2A1MAPTTP53NPSR1USP2
SCHEMBL19254292 0.82 CSNK2A1 (0.67) CSNK2A1MAPTTP53NPSR1USP2
SCHEMBL19254575 0.82 CSNK2A1 (0.67) CSNK2A1MAPTTP53NPSR1USP2
SCHEMBL28015906 0.81 CSNK2A1 (0.89) CSNK2A1MAPTTP53NPSR1USP2
SCHEMBL3333973 0.81 CSNK2A1 (0.84) CSNK2A1MAPTUSP2LMNATSHR
SCHEMBL298156 0.80 CSNK2A1 (0.85) CSNK2A1MAPTTP53NPSR1USP2

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
WO-2017136689-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY ACADEMIA SINICA (TW) 2017-08-10 WO disclosed