SCHEMBL7176166

SCHEMBL7176166

O=C(O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.73
ADORA3 P0DMS8 3/20 0.72
ADORA1 P30542 3/20 0.72
ADORA2B P29275 2/20 0.72

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
SCHEMBL7176158 1.00 ADORA2A (0.73) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4382557 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4382552 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4562392 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7073089 0.91 ADORA2A (0.74) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4380793 0.89 ADORA2A (0.67) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4560473 0.89 ADORA2A (0.67) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6338095 0.89 ADORA2A (0.71) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4380797 0.89 ADORA2A (0.67) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4373572 0.88 ADORA2A (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP claimed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 WO claimed