SCHEMBL28047362

SCHEMBL28047362

Cn1c(=O)c2c(nc(CO)n2Cc2ccccc2C#N)n(C)c1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.59
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.54
ALDH1A1 P00352 9/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALOX15 P16050 4/20 0.52
HSD17B10 Q99714 4/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.51
TSHR P16473 4/20 0.50
PCSK9 Q8NBP7 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 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
SCHEMBL28047359 0.94 KMT2A (0.65) DPP4KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL28010257 0.87 KMT2A (0.57) DPP4KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL555383 0.84 DPP4 (0.61) DPP4KMT2AALDH1A1SMN1; SMN2ALOX15
SCHEMBL28047367 0.84 DPP4 (0.54) DPP4KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL28010961 0.83 KMT2A (0.52) KMT2APOLBALDH1A1HSD17B10TP53
SCHEMBL28047331 0.83 KMT2A (0.65) DPP4KMT2APOLBALDH1A1ALOX15
SCHEMBL5470935 0.79 DPP4 (0.57) DPP4KMT2APOLBALDH1A1HSD17B10
SCHEMBL1242754 0.79 ALDH1A1 (0.60) DPP4KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL5638863 0.79 DPP4 (0.74) DPP4KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL28047358 0.78 KMT2A (0.58) DPP4KMT2APOLBALDH1A1ALOX15

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
CN-103373999-B purine compound, intermediate, preparation method and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-01-13 CN disclosed