SCHEMBL28047331

SCHEMBL28047331

Cn1c(=O)n(Cc2ccccc2C#N)c(=O)c2c1nc(CN)n2Cc1ccccc1C#N

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
DPP4 P27487 15/20 0.55
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 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
SCHEMBL28047359 0.89 KMT2A (0.65) KMT2ADPP4TP53ALOX15HSD17B10
SCHEMBL28047358 0.84 KMT2A (0.58) KMT2ADPP4TP53ALOX15HSD17B10
SCHEMBL28010257 0.83 KMT2A (0.57) KMT2ADPP4TP53ALDH1A1HTT
SCHEMBL28047362 0.83 DPP4 (0.59) KMT2ADPP4TP53ALOX15HSD17B10
SCHEMBL28010254 0.80 KMT2A (0.52) KMT2ADPP4TP53ALDH1A1HTT
SCHEMBL13954915 0.80 KMT2A (0.56) KMT2ADPP4ALDH1A1
SCHEMBL4487837 0.79 KMT2A (0.60) KMT2ADPP4ALDH1A1MEN1
SCHEMBL4668995 0.79 LMNA (0.72) KMT2ADPP4TP53HSD17B10ALDH1A1
SCHEMBL28010287 0.79 KMT2A (0.52) KMT2ADPP4TP53ALDH1A1HTT
SCHEMBL638793 0.78 KMT2A (0.59) KMT2ADPP4ALDH1A1HTTMEN1

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