SCHEMBL4560532

SCHEMBL4560532

NCCNC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3OC(CO)C(O)C3O)c2n1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.80
ADORA3 P0DMS8 2/20 0.64
ADORA1 P30542 2/20 0.64
ADORA2B P29275 1/20 0.64

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
SCHEMBL4373572 1.00 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4373570 1.00 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6327873 0.91 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6327867 0.91 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6913460 0.91 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6913464 0.91 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6321339 0.90 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6318903 0.90 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL726078 0.89 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6326890 0.89 ADORA2A (0.74) 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-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed