SCHEMBL13615540

SCHEMBL13615540

CO[C@H]1C(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@](CO)(C(C)C)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.46
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
P2RY12 Q9H244 2/20 0.43
ADORA1 P30542 2/20 0.43
P2RY2 P41231 1/20 0.42
P2RY1 P47900 1/20 0.42
P2RY6 Q15077 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL18522216 0.87 PRMT6 (0.46) PRMT6P2RY12ADORA1
SCHEMBL13615620 0.87 PRMT6 (0.41) PRMT6ADORA2AADORA2BP2RY12
SCHEMBL14303666 0.86 PRMT6 (0.45) PRMT6P2RY12ADORA1
SCHEMBL21759030 0.83 PRMT6 (0.45) PRMT6P2RY12ADORA1
SCHEMBL1582757 0.80 MEN1 (0.63) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL1582760 0.80 MEN1 (0.63) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL19841206 0.80 MEN1 (0.63) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL29602480 0.80 MEN1 (0.63) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL20454454 0.80 MEN1 (0.63) ADORA2AADORA2BADORA1ADORA3TP53
SCHEMBL12963332 0.80 ADORA1 (0.58) ADORA2AADORA2BP2RY12ADORA1ADORA3

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
WO-2009143369-A2 METHOD OF PREPARING NUCLEOSIDES AND ANALOGS THEREOF WITHOUT USING CHROMATOGRAPHY ISIS PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed