SCHEMBL7932653

SCHEMBL7932653

Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.76
LMNA P02545 1/20 0.75
NT5E P21589 1/20 0.75
HIF1A Q16665 1/20 0.75
ADORA2A P29274 6/20 0.73
ADORA2B P29275 4/20 0.73
ADORA1 P30542 1/20 0.69
DPP4 P27487 1/20 0.69

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
SCHEMBL25756712 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL314542 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL259446 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL6725190 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL14131245 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL24146779 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL13461111 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL10040218 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL278293 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL6934755 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232297-B1 ADMINISTERING 4-AMINOPYRROLO(3,2-D)PYRIMIDINE DERIVATIVE AS ADENOSINE RECEPTOR ANTAGONIST UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-05-15 US disclosed