SCHEMBL6935387

SCHEMBL6935387

CC(C)SC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 7/20 0.78
NADK O95544 1/20 0.78
ADORA3 P0DMS8 2/20 0.73
DOT1L Q8TEK3 3/20 0.70
PNMT P11086 1/20 0.70
DNMT1 P26358 1/20 0.70
DNMT3B Q9UBC3 1/20 0.70
DPP4 P27487 1/20 0.70
MEN1 O00255 1/20 0.70
SLC28A1 O00337 1/20 0.70
MAP3K7 O43318 1/20 0.70
SLC28A2 O43868 1/20 0.70
GAPDH P04406 1/20 0.70
MAPK1 P28482 1/20 0.70
ADORA2A P29274 1/20 0.70
ADORA2B P29275 1/20 0.70
ADORA1 P30542 1/20 0.70
STAT6 P42226 1/20 0.70
PI4KA P42356 1/20 0.70
KMT2A Q03164 1/20 0.70

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
SCHEMBL1490897 0.93 AHCY (0.76) AHCYNADKADORA3DOT1LPNMT
SCHEMBL8943736 0.92 AHCY (0.74) AHCYNADKADORA3DOT1LPNMT
SCHEMBL8943648 0.92 AHCY (0.74) AHCYNADKADORA3DOT1LPNMT
SCHEMBL8943568 0.92 AHCY (0.74) AHCYNADKADORA3DOT1LPNMT
SCHEMBL3488878 0.89 AHCY (0.78) AHCYNADKADORA3DOT1LPNMT
SCHEMBL5055541 0.88 AHCY (0.76) AHCYNADKADORA3DOT1LPNMT
Methylthioadenosine SCHEMBL890628 0.88 AHCY (0.83) AHCYNADKADORA3DOT1LPNMT
Methylthioadenosine SCHEMBL10013421 0.88 AHCY (0.83) AHCYNADKADORA3DOT1LPNMT
Methylthioadenosine SCHEMBL20798030 0.88 AHCY (0.83) AHCYNADKADORA3DOT1LPNMT
Methylthioadenosine SCHEMBL160358 0.88 AHCY (0.83) AHCYNADKADORA3DOT1LPNMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368365-A2 C2,5'-DISUBSTITUTED AND N6,C2,5'-TRISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES Universiteit Leiden (NL) 2003-12-10 EP disclosed
WO-2002070532-A2 C2,5'-DISUBSTITUTED AND N6,C2,5'-TRISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES UNIVERSITEIT LEIDEN (NL) 2002-09-12 WO disclosed