SCHEMBL19254650

SCHEMBL19254650

CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C(=O)CC)c4)c3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 13/20 0.63
CSNK2A2 P19784 1/20 0.60
CSNK2B P67870 1/20 0.60
KDM4E B2RXH2 4/20 0.60
USP2 O75604 3/20 0.60
TSHR P16473 3/20 0.60
HSD17B10 Q99714 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
ESR1 P03372 1/20 0.59
TP53 P04637 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
ALPL P05186 1/20 0.58
ALPI P09923 1/20 0.58
ALPG P10696 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RXFP1 Q9HBX9 2/20 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
SCHEMBL19254292 0.95 CSNK2A1 (0.67) CSNK2A1CSNK2A2CSNK2BKDM4EUSP2
SCHEMBL19254310 0.92 CSNK2A1 (0.72) CSNK2A1CSNK2A2CSNK2BKDM4EUSP2
SCHEMBL19254651 0.92 CSNK2A1 (0.64) CSNK2A1CSNK2A2CSNK2BKDM4EUSP2
SCHEMBL19207411 0.91 CSNK2A1 (0.65) CSNK2A1CSNK2A2CSNK2BKDM4EUSP2
SCHEMBL19254358 0.91 CSNK2A1 (0.62) CSNK2A1CSNK2A2CSNK2BKDM4EUSP2
SCHEMBL19254303 0.90 CSNK2A1 (0.61) CSNK2A1CSNK2A2CSNK2BKDM4EUSP2
SCHEMBL22400129 0.90 CSNK2A1 (0.79) CSNK2A1CSNK2A2CSNK2BKDM4EUSP2
SCHEMBL22400143 0.90 HSD17B10 (0.74) CSNK2A1CSNK2A2CSNK2BKDM4EUSP2
SCHEMBL19254316 0.89 CSNK2A1 (0.61) CSNK2A1CSNK2A2CSNK2BKDM4EUSP2
SCHEMBL19254356 0.88 CSNK2A1 (0.59) CSNK2A1CSNK2A2CSNK2BKDM4EUSP2

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