SCHEMBL5982371

SCHEMBL5982371

Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)C(O)C3OCCCCn3ccnc3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.51
ADORA2B P29275 9/20 0.51
ADORA3 P0DMS8 2/20 0.49
LMNA P02545 1/20 0.48
NT5E P21589 1/20 0.48
HIF1A Q16665 1/20 0.48
ADORA1 P30542 1/20 0.48

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
SCHEMBL1737176 1.00 ADORA2A (0.51) ADORA2AADORA2BADORA3LMNANT5E
SCHEMBL5962974 0.93 ADORA2A (0.51) ADORA2AADORA2BADORA3LMNANT5E
SCHEMBL5983866 0.93 ADORA2A (0.51) ADORA2AADORA2BADORA3LMNANT5E
SCHEMBL5983004 0.89 ADORA1 (0.60) ADORA2AADORA2BADORA3HIF1AADORA1
SCHEMBL4556302 0.89 ADORA1 (0.60) ADORA2AADORA2BADORA3HIF1AADORA1
SCHEMBL5982891 0.86 ADORA1 (0.61) ADORA2AADORA2BADORA3HIF1AADORA1
SCHEMBL5982880 0.86 ADORA1 (0.61) ADORA2AADORA2BADORA3HIF1AADORA1
SCHEMBL1738169 0.85 HPGD (0.49) ADORA2AADORA2BNT5E
SCHEMBL5962965 0.85 HPGD (0.49) ADORA2AADORA2BNT5E
SCHEMBL5963222 0.85 ADORA2A (0.70) ADORA2AADORA2BADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037646-B1 Amine-derivatized nucleosides and oligonucleosides ISIS PHARMACEUTICALS, INC. (US) 2006-05-02 US disclosed
EP-0728139-B1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS INC (US) 2003-08-13 EP disclosed
EP-0728139-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1996-08-28 EP disclosed
WO-1995006659-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1995-03-09 WO disclosed