SCHEMBL6385341

SCHEMBL6385341

CONc1nc(I)nc2c1ncn2C1OC(CO)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 1.00
ADORA2A P29274 13/20 1.00
ADORA1 P30542 13/20 1.00

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
SCHEMBL4384509 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1
SCHEMBL4389767 0.90 ADORA3 (0.81) ADORA3ADORA2AADORA1
SCHEMBL8820620 0.88 ADORA3 (0.79) ADORA3ADORA2AADORA1
SCHEMBL8820609 0.88 ADORA3 (0.79) ADORA3ADORA2AADORA1
SCHEMBL14424395 0.88 ADORA1 (0.79) ADORA3ADORA2AADORA1
SCHEMBL8818548 0.88 ADORA3 (0.85) ADORA3ADORA2AADORA1
SCHEMBL8817565 0.88 ADORA3 (0.78) ADORA3ADORA2AADORA1
SCHEMBL8818565 0.88 ADORA3 (0.85) ADORA3ADORA2AADORA1
SCHEMBL8819510 0.88 ADORA3 (0.78) ADORA3ADORA2AADORA1
SCHEMBL8819497 0.88 ADORA3 (0.78) ADORA3ADORA2AADORA1

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-1537135-A2 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2005-06-08 EP disclosed
WO-2004022573-A2 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2004-03-18 WO disclosed