SCHEMBL16682237

SCHEMBL16682237

[N-]=[N+]=NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 1.00
▸ ADORA1 P30542 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 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
▸ ADORA3 P0DMS8 1/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ ADORA2A P29274 1/20 0.70
▸ ADORA2B P29275 1/20 0.70
▸ STAT6 P42226 1/20 0.70
▸ PI4KA P42356 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ PI4K2B Q8TCG2 1/20 0.70
▸ DOT1L Q8TEK3 1/20 0.70
▸ SLC29A1 Q99808 1/20 0.70
▸ PI4K2A Q9BTU6 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
SCHEMBL26807050 1.00 AHCY (1.00) AHCYADORA1SMN1; SMN2DPP4MEN1
SCHEMBL15371600 1.00 AHCY (1.00) AHCYADORA1SMN1; SMN2DPP4MEN1
SCHEMBL25387083 0.88 AHCY (0.78) AHCYADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL14812472 0.85 ADORA3 (0.91) AHCYADORA1SMN1; SMN2DPP4MEN1
SCHEMBL13986301 0.85 AHCY (0.74) AHCYADORA1SMN1; SMN2DPP4MEN1
SCHEMBL19837832 0.84 AHCY (0.73) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL18172264 0.84 AHCY (0.73) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL446165 0.84 AHCY (0.73) AHCYADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL14812475 0.83 ADORA3 (0.87) AHCYADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL23804425 0.83 ADORA3 (1.00) AHCYADORA1SMN1; 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-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 — — US disclosed
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