SCHEMBL16561357

SCHEMBL16561357

N#CCCOP(N)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.59
▸ ADORA1 P30542 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ DPP4 P27487 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ SLC28A1 O00337 1/20 0.59
▸ MAP3K7 O43318 1/20 0.59
▸ SLC28A2 O43868 1/20 0.59
▸ GAPDH P04406 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ADORA2A P29274 1/20 0.59
▸ ADORA2B P29275 1/20 0.59
▸ STAT6 P42226 1/20 0.59
▸ PI4KA P42356 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ PI4K2B Q8TCG2 1/20 0.59
▸ DOT1L Q8TEK3 1/20 0.59
▸ SLC29A1 Q99808 1/20 0.59
▸ PI4K2A Q9BTU6 1/20 0.59
▸ SLC28A3 Q9HAS3 1/20 0.59

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
SCHEMBL30324459 0.87 ADORA3 (0.54) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL4653445 0.83 ADORA3 (0.71) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL13715739 0.83 ADORA3 (0.67) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL3921701 0.83 ADORA3 (0.67) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL13743975 0.83 ADORA3 (0.67) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL16561344 0.83 HINT1 (0.49) ADORA2AADORA2BTAS1R3TAS1R1
SCHEMBL8616982 0.82 ADORA3 (0.72) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL30324473 0.80 ADORA1 (0.55) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL23414488 0.79 ADORA3 (0.77) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL4658306 0.79 ADORA3 (0.77) ADORA3ADORA1SMN1; SMN2DPP4MEN1

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-8981076-B2 Synthesis of N-FMOC protected deoxy nucleosides, ribo nucleosides, modified deoxy and ribo nucleosides, and phosphoramidites, and their use in oligonucleotide synthesis CHEMGENES CORPORATION (US) 2015-03-17 — — US disclosed
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