SCHEMBL10664656

SCHEMBL10664656

CN(CCCNC(=N)N)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMD1 P17707 2/20 0.69
DOT1L Q8TEK3 7/20 0.68
EZH2 Q15910 1/20 0.65
PRMT1 Q99873 3/20 0.58
DPP4 P27487 1/20 0.57
MEN1 O00255 1/20 0.57
SLC28A1 O00337 1/20 0.57
MAP3K7 O43318 1/20 0.57
SLC28A2 O43868 1/20 0.57
GAPDH P04406 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
MAPK1 P28482 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA2B P29275 1/20 0.57
ADORA1 P30542 1/20 0.57
STAT6 P42226 1/20 0.57
PI4KA P42356 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PI4K2B Q8TCG2 1/20 0.57

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
SCHEMBL10668844 0.91 AMD1 (0.67) AMD1DOT1LEZH2PRMT1DPP4
SCHEMBL15012484 0.89 AMD1 (0.73) AMD1DOT1LEZH2PRMT1DPP4
SCHEMBL952218 0.89 AMD1 (0.73) AMD1DOT1LEZH2PRMT1DPP4
SCHEMBL952217 0.89 AMD1 (0.73) AMD1DOT1LEZH2PRMT1DPP4
SCHEMBL10660872 0.88 DOT1L (0.75) AMD1DOT1LEZH2PRMT1PRKACA
SCHEMBL995958 0.86 AMD1 (0.77) AMD1DOT1LEZH2PRMT1DPP4
SCHEMBL13986400 0.86 AMD1 (0.80) AMD1DOT1LEZH2DPP4MEN1
SCHEMBL10665694 0.86 DOT1L (0.68) AMD1DOT1LEZH2PRMT1PRKACA
SCHEMBL1770046 0.85 AMD1 (0.76) AMD1DOT1LEZH2DPP4MEN1
SCHEMBL1770049 0.85 AMD1 (0.76) AMD1DOT1LEZH2DPP4MEN1

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
US-4794174-A ENZYME INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 1988-12-27 US disclosed