SCHEMBL10586178

SCHEMBL10586178

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC2(O)CCCCC2)[C@@H](O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ ADORA3 P0DMS8 2/20 0.64
▸ ADORA2A P29274 2/20 0.64
▸ ADORA2B P29275 2/20 0.64
▸ DPP4 P27487 1/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ SLC28A1 O00337 1/20 0.64
▸ MAP3K7 O43318 1/20 0.64
▸ SLC28A2 O43868 1/20 0.64
▸ GAPDH P04406 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ STAT6 P42226 1/20 0.64
▸ PI4KA P42356 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ PI4K2B Q8TCG2 1/20 0.64
▸ DOT1L Q8TEK3 1/20 0.64
▸ SLC29A1 Q99808 1/20 0.64
▸ PI4K2A Q9BTU6 1/20 0.64
▸ SLC28A3 Q9HAS3 1/20 0.64

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
SCHEMBL1553824 0.88 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8651426 0.88 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL28852057 0.84 DPP4 (0.69) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10345916 0.83 ADORA1 (0.61) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL3300186 0.82 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7803298 0.82 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10997946 0.82 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL5024895 0.82 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
Adenosine SCHEMBL9500625 0.82 ADORA3 (0.93) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL12963362 0.82 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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
EP-0322242-A2 Adenosine derivatives GLAXO GROUP LIMITED (GB) 1989-06-28 — — EP claimed
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