SCHEMBL7596105

SCHEMBL7596105

CCC(CC)Nc1nc(NCCN2CCCCC2)nc2c1ncn2C1OC(c2cc(Br)no2)C(O)C1O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.54
ADORA3 P0DMS8 7/20 0.42
ADORA2B P29275 1/20 0.42

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
SCHEMBL6841443 1.00 ADORA2A (0.54) ADORA2AADORA3ADORA2B
SCHEMBL6839061 0.92 ADORA2A (0.55) ADORA2AADORA3
SCHEMBL6839204 0.92 ADORA2A (0.55) ADORA2AADORA3
SCHEMBL6838902 0.91 ADORA2A (0.54) ADORA2AADORA3
SCHEMBL6839132 0.91 ADORA2A (0.54) ADORA2AADORA3
SCHEMBL6839843 0.90 ADORA2A (0.53) ADORA2AADORA3
SCHEMBL7598401 0.90 ADORA2A (0.53) ADORA2AADORA3
SCHEMBL7103342 0.87 ADORA2A (0.54) ADORA2AADORA3
SCHEMBL7103640 0.87 ADORA2A (0.54) ADORA2AADORA3
SCHEMBL7205411 0.86 ADORA2A (0.55) ADORA2AADORA3ADORA2B

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-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP claimed