SCHEMBL7456402

SCHEMBL7456402

Cn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](OC=O)[C@H]2O)n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.68
ADORA3 P0DMS8 18/20 0.68
ADORA1 P30542 10/20 0.68
ADORA2B P29275 9/20 0.68

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
SCHEMBL7230915 1.00 ADORA2A (0.68) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7221847 0.93 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7456606 0.90 ADORA2A (0.84) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7231164 0.89 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7223578 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8446589 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7232092 0.86 ADORA3 (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7202952 0.85 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7567108 0.83 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL1978553 0.83 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2B

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
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP disclosed