SCHEMBL8708990

SCHEMBL8708990

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ ADORA3 P0DMS8 2/20 0.71
▸ ADORA2A P29274 2/20 0.71
▸ ADORA2B P29275 2/20 0.71
▸ DPP4 P27487 1/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ SLC28A1 O00337 1/20 0.71
▸ MAP3K7 O43318 1/20 0.71
▸ SLC28A2 O43868 1/20 0.71
▸ GAPDH P04406 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ STAT6 P42226 1/20 0.71
▸ PI4KA P42356 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ PI4K2B Q8TCG2 1/20 0.71
▸ DOT1L Q8TEK3 1/20 0.71
▸ SLC29A1 Q99808 1/20 0.71
▸ PI4K2A Q9BTU6 1/20 0.71
▸ SLC28A3 Q9HAS3 1/20 0.71

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
SCHEMBL6569310 0.92 ADORA1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL939593 0.91 ADORA1 (0.71) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL3699269 0.89 P2RY1 (0.68) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL15338536 0.89 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL15788449 0.89 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL29936504 0.89 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL15338502 0.89 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL41361 0.89 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL384075 0.89 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL15926827 0.89 ADORA1 (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998016539-A1 NOVEL THERAPEUTICALLY ACTIVE ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1998-04-23 — — WO disclosed
US-5589467-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1996-12-31 — — US disclosed
EP-0719275-A1 CHEMICAL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-07-03 — — EP disclosed
WO-1995007921-A1 CHEMICAL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-03-23 — — WO disclosed
EP-0351475-A1 S-Adenosylmethionine decarboxylase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-01-24 — — EP disclosed
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