SCHEMBL6307243

SCHEMBL6307243

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CNC(=O)NCCN(C(C)C)C4CCCC4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 1.00
ADORA3 P0DMS8 2/20 0.63
ADORA2B P29275 2/20 0.63
ADORA1 P30542 2/20 0.63

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
SCHEMBL7071807 0.91 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5934035 0.91 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5934034 0.91 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5405498 0.91 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7104182 0.90 ADORA2A (0.99) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6307240 0.90 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4371968 0.90 ADORA2A (0.99) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5934040 0.90 ADORA2A (0.99) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6306181 0.90 ADORA2A (0.82) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6306183 0.90 ADORA2A (0.82) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921753-B2 Purine derivatives PFIZER INC (US) 2005-07-26 US claimed
EP-1296996-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2004-05-26 EP claimed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed