SCHEMBL4349253

SCHEMBL4349253

Nc1nc(-c2cc(F)c(F)c(F)c2)nc2c1ncn2[C@@H]1OC(CO)C(O)[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.70
NT5E P21589 1/20 0.70
HIF1A Q16665 1/20 0.70
ADORA2A P29274 10/20 0.64
ADORA2B P29275 4/20 0.63
ADORA3 P0DMS8 2/20 0.61
ADORA1 P30542 1/20 0.60

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
SCHEMBL2776182 1.00 LMNA (0.70) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL2779773 1.00 LMNA (0.70) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL2774718 0.91 LMNA (0.72) LMNANT5EHIF1AADORA2AADORA2B
SCHEMBL2778969 0.86 LMNA (0.65) LMNANT5EHIF1AADORA2AADORA2B
Fludarabine SCHEMBL13046076 0.83 LMNA (1.00) LMNANT5EHIF1AADORA2AADORA2B
Fludarabine SCHEMBL12018219 0.83 LMNA (1.00) LMNANT5EHIF1AADORA2AADORA2B
Fludarabine SCHEMBL977919 0.83 LMNA (1.00) LMNANT5EHIF1AADORA2AADORA2B
Fludarabine SCHEMBL13046078 0.83 LMNA (1.00) LMNANT5EHIF1AADORA2AADORA2B
Fludarabine SCHEMBL14031844 0.83 LMNA (1.00) LMNANT5EHIF1AADORA2AADORA2B
Fludarabine SCHEMBL12232219 0.83 LMNA (1.00) LMNANT5EHIF1AADORA2AADORA2B

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
EP-2081946-A2 ADENOSINE DERIVATIVES FOR THE TREATMENT OF PAIN Biovitrum AB (publ) (SE) 2009-07-29 EP disclosed
WO-2008000745-A2 ADENOSINE DERIVATIVES FOR THE TREATMENT OF PAIN BIOVITRUM AB (PUBL) (SE) 2008-01-03 WO disclosed