SCHEMBL8090571

SCHEMBL8090571

CCc1cc(C2OC(n3cnc4c(NC(CC)CC)nc(Cl)nc43)C(O)C2O)on1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.58
ADORA1 P30542 8/20 0.58
ADORA2A P29274 7/20 0.58
HTR2C P28335 2/20 0.52
TMIGD3 P0DMS9 1/20 0.52
HTR2B P41595 1/20 0.52
ADORA2B P29275 3/20 0.51

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
SCHEMBL3914192 1.00 ADORA3 (0.58) ADORA3ADORA1ADORA2AHTR2CTMIGD3
SCHEMBL3914182 1.00 ADORA3 (0.58) ADORA3ADORA1ADORA2AHTR2CTMIGD3
Formic Acid SCHEMBL6574660 0.90 ADORA2A (0.53) ADORA3ADORA1ADORA2AHTR2CTMIGD3
SCHEMBL2809155 0.88 ADORA1 (0.70) ADORA3ADORA1ADORA2AHTR2CADORA2B
SCHEMBL4230273 0.88 ADORA1 (0.70) ADORA3ADORA1ADORA2AHTR2CADORA2B
SCHEMBL3913337 0.88 ADORA1 (0.70) ADORA3ADORA1ADORA2AHTR2CADORA2B
SCHEMBL2832621 0.88 ADORA1 (0.70) ADORA3ADORA1ADORA2AHTR2CADORA2B
SCHEMBL6839103 0.88 ADORA3 (0.54) ADORA3ADORA1ADORA2AHTR2CTMIGD3
Trifluoroacetic Acid SCHEMBL6839083 0.88 ADORA1 (0.51) ADORA3ADORA1ADORA2AHTR2CTMIGD3
SCHEMBL6574586 0.86 ADORA3 (0.52) ADORA3ADORA1ADORA2AADORA2B

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-1051425-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-11-15 EP disclosed
WO-1999038877-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-05 WO disclosed