SCHEMBL19254350

SCHEMBL19254350

CCCCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C(=O)OC)cc4)c3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 12/20 0.67
CSNK2A2 P19784 1/20 0.61
CSNK2B P67870 1/20 0.61
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
USP2 O75604 2/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
ESR1 P03372 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 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
SCHEMBL19254348 0.93 CSNK2A1 (0.65) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19207471 0.93 CSNK2A1 (0.69) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19254352 0.92 CSNK2A1 (0.64) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19254354 0.90 CSNK2A1 (0.63) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19254349 0.89 CSNK2A1 (0.84) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19254351 0.89 CSNK2A1 (0.74) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL11939083 0.88 CSNK2A1 (0.68) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19254360 0.86 CSNK2A1 (0.72) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19254359 0.86 CSNK2A1 (0.67) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL19254353 0.84 CSNK2A1 (0.78) 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