SCHEMBL8820548

SCHEMBL8820548

OC[C@H]1O[C@@H](n2cnc3c(NOCc4ccccc4)nc(Cl)nc32)C(O)C1O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.70
ADORA3 P0DMS8 3/20 0.70
ADORA2A P29274 3/20 0.70
ADORA2B P29275 2/20 0.64
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
MAPK1 P28482 1/20 0.64
KMT2A Q03164 1/20 0.64
RXFP1 Q9HBX9 1/20 0.63

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
SCHEMBL8820534 1.00 ADORA1 (0.70) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL7627010 0.92 ADORA3 (0.60) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL7627041 0.92 ADORA3 (0.60) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL8820273 0.91 ADORA1 (0.73) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL8820255 0.91 ADORA1 (0.73) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL5353431 0.89 ADORA3 (0.67) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL8820039 0.88 ADORA1 (0.63) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL8820021 0.88 ADORA1 (0.63) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL8908713 0.86 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL8908726 0.86 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430027-A 2-chloro-N6 -substituted adenosines, their pharmaceutical compositions, and activity in treating ischemias NOVO NORDISK A/S (DK) 1995-07-04 US claimed
EP-0607367-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-07-27 EP claimed
WO-1993023417-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO claimed
WO-1997033590-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed
WO-1997033591-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed
US-5430027-A 2-chloro-N6 -substituted adenosines, their pharmaceutical compositions, and activity in treating ischemias NOVO NORDISK A/S (DK) 1995-07-04 US disclosed
EP-0607367-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-07-27 EP disclosed
WO-1993023417-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed