SCHEMBL7144764

SCHEMBL7144764

CCc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NC(CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)o1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.57
ADORA1 P30542 9/20 0.55
ADORA3 P0DMS8 9/20 0.55
ADORA2B P29275 9/20 0.55

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
SCHEMBL7102326 1.00 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7103626 0.91 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7152909 0.88 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7105571 0.88 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7103947 0.86 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6839238 0.86 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7601344 0.86 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7601339 0.86 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7151757 0.86 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7526585 0.84 ADORA2A (0.65) ADORA2AADORA1ADORA3ADORA2B

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-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP claimed