SCHEMBL28047359

SCHEMBL28047359

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

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
DPP4 P27487 13/20 0.53
POLB P06746 1/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BRAF P15056 1/20 0.45
PIK3CG P48736 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NOX4 Q9NPH5 1/20 0.44

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
SCHEMBL28047362 0.94 DPP4 (0.59) KMT2ADPP4POLBTP53ALDH1A1
SCHEMBL28010257 0.93 KMT2A (0.57) KMT2ADPP4POLBTP53ALDH1A1
SCHEMBL28047331 0.89 KMT2A (0.65) KMT2ADPP4POLBTP53ALDH1A1
SCHEMBL28047358 0.84 KMT2A (0.58) KMT2ADPP4POLBTP53ALDH1A1
SCHEMBL28010961 0.83 KMT2A (0.52) KMT2APOLBTP53ALDH1A1HSD17B10
SCHEMBL28010254 0.80 KMT2A (0.52) KMT2ADPP4TP53ALDH1A1SMN1; SMN2
SCHEMBL4668995 0.79 LMNA (0.72) KMT2ADPP4POLBTP53ALDH1A1
SCHEMBL4487837 0.79 KMT2A (0.60) KMT2ADPP4ALDH1A1SMN1; SMN2
SCHEMBL28010287 0.79 KMT2A (0.52) KMT2ADPP4TP53ALDH1A1SMN1; SMN2
SCHEMBL638793 0.78 KMT2A (0.59) KMT2ADPP4ALDH1A1SMN1; SMN2

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