SCHEMBL19254360

SCHEMBL19254360

COC(=O)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Oc5ccccc5)cc4)nc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 13/20 0.72
CSNK2A2 P19784 1/20 0.63
CSNK2B P67870 1/20 0.63
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
USP2 O75604 2/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
ESR1 P03372 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL19254349 0.91 CSNK2A1 (0.84) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19207471 0.87 CSNK2A1 (0.69) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19254350 0.86 CSNK2A1 (0.67) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL298156 0.86 CSNK2A1 (0.85) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19254305 0.83 CSNK2A1 (0.70) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19254353 0.82 CSNK2A1 (0.78) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL296461 0.81 KDM4E (0.81) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL297749 0.81 CSNK2A1 (0.87) CSNK2A1KDM4EUSP2LMNATSHR
SCHEMBL3333973 0.80 CSNK2A1 (0.84) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19254359 0.80 CSNK2A1 (0.67) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1

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