SCHEMBL5076223

SCHEMBL5076223

Nc1nc(OCCc2cccc(Cl)c2)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 1.00
ADORA2B P29275 13/20 1.00
ADORA1 P30542 6/20 0.83
ADORA3 P0DMS8 5/20 0.83

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
SCHEMBL4759990 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4759992 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
Sonedenoson SCHEMBL13010610 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
Sonedenoson SCHEMBL29379294 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
Sonedenoson SCHEMBL1094599 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
Sonedenoson SCHEMBL23898701 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
Sonedenoson SCHEMBL1094594 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
Sonedenoson SCHEMBL24838606 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL8115549 0.89 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2291656 0.89 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001489-A2 PHARMACEUTICAL COMPOSITIONS FOR PROMOTING WOUND HEALING King Pharmaceuticals Research and Development Inc. (US) 2008-12-17 EP disclosed
WO-2007123740-A2 PHARMACEUTICAL COMPOSITIONS FOR PROMOTING WOUND HEALING KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-11-01 WO disclosed
US-20070232561-A1 Pharmaceutical compositions for promoting wound healing KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-04 US disclosed