SCHEMBL5695147

SCHEMBL5695147

COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CN)nc32)C(O)C1O

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.75
ADORA3 P0DMS8 7/20 0.59
ADORA2B P29275 6/20 0.59
ADORA1 P30542 6/20 0.59

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
SCHEMBL5694942 1.00 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7777196 1.00 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5694964 0.93 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7778496 0.91 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5695043 0.91 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5414368 0.90 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5695009 0.90 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5694994 0.90 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5695040 0.89 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5694970 0.89 ADORA2A (0.79) ADORA2AADORA3ADORA2BADORA1

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-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 EP disclosed