SCHEMBL14156291

SCHEMBL14156291

NC(=O)c1cn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)nn1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 12/20 0.75
▸ ADORA1 P30542 11/20 0.75
▸ ADORA2A P29274 1/20 0.63
▸ ADORA2B P29275 1/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.62

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
SCHEMBL4797975 1.00 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4797947 1.00 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4798107 0.93 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4798057 0.93 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL14156396 0.93 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL14156290 0.91 ADORA3 (0.76) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4802438 0.90 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4806960 0.89 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4806949 0.89 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL14156392 0.89 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 — — US disclosed
US-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 — — US disclosed
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