SCHEMBL19254355

SCHEMBL19254355

CCCCOC(=O)c1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(N=[N+]=[N-])cc4)nc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 12/20 0.54
USP2 O75604 4/20 0.52
TSHR P16473 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.52
ESR1 P03372 1/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48

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
SCHEMBL22400137 0.93 CSNK2A1 (0.56) CSNK2A1USP2TSHRNPSR1MAPT
SCHEMBL19207420 0.89 CSNK2A1 (0.61) CSNK2A1USP2TSHRNPSR1MAPT
SCHEMBL19254726 0.89 CSNK2A1 (0.61) CSNK2A1USP2TSHRNPSR1MAPT
SCHEMBL19254356 0.88 CSNK2A1 (0.59) CSNK2A1USP2TSHRNPSR1MAPT
SCHEMBL19254663 0.84 MAPT (0.64) CSNK2A1USP2TSHRNPSR1MAPT
SCHEMBL19254664 0.83 CSNK2A1 (0.52) CSNK2A1USP2TSHRNPSR1MAPT
SCHEMBL19254358 0.81 CSNK2A1 (0.62) CSNK2A1USP2TSHRNPSR1MAPT
SCHEMBL19254727 0.81 CSNK2A1 (0.65) CSNK2A1USP2TSHRNPSR1MAPT
SCHEMBL19254348 0.79 CSNK2A1 (0.65) CSNK2A1USP2TSHRNPSR1MAPT
SCHEMBL19254351 0.79 CSNK2A1 (0.74) CSNK2A1USP2TSHRNPSR1MAPT

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