SCHEMBL19207434

SCHEMBL19207434

CCOc1ccc(-c2nc([12C]#N)c3[nH]c(=O)n(-c4cccc(C(=O)OC)c4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.47
HDAC3 O15379 7/20 0.44
HDAC4 P56524 7/20 0.44
HDAC1 Q13547 7/20 0.44
HDAC7 Q8WUI4 7/20 0.44
HDAC2 Q92769 7/20 0.44
HDAC10 Q969S8 7/20 0.44
HDAC11 Q96DB2 7/20 0.44
HDAC8 Q9BY41 7/20 0.44
HDAC6 Q9UBN7 7/20 0.44
HDAC9 Q9UKV0 7/20 0.44
HDAC5 Q9UQL6 7/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
USP2 O75604 3/20 0.43
TSHR P16473 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
ESR1 P03372 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL19254333 1.00 CSNK2A1 (0.47) CSNK2A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19207423 0.90 CSNK2A1 (0.49) CSNK2A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19207411 0.86 CSNK2A1 (0.65) CSNK2A1CSNK2A2CSNK2BUSP2TSHR
SCHEMBL19207476 0.84 HDAC3 (0.52) CSNK2A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19207433 0.83 CSNK2A1 (0.41) CSNK2A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19254608 0.83 MAPT (0.53) CSNK2A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19254292 0.79 CSNK2A1 (0.67) CSNK2A1CSNK2A2CSNK2BUSP2TSHR
SCHEMBL19254358 0.79 CSNK2A1 (0.62) CSNK2A1CSNK2A2CSNK2BUSP2TSHR
SCHEMBL19207635 0.78 HDAC3 (0.60) CSNK2A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19207629 0.78 MEN1 (0.47) CSNK2A1HDAC3HDAC4HDAC1HDAC7

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