SCHEMBL7099549

SCHEMBL7099549

CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](c2nnc(C3CC3)o2)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.47
ADORA2A P29274 12/20 0.47
ADORA3 P0DMS8 10/20 0.47
HTR2C P28335 3/20 0.46
TMIGD3 P0DMS9 2/20 0.46
HTR2B P41595 2/20 0.46
ADORA2B P29275 4/20 0.43
HRH2 P25021 1/20 0.42
HTR5A P47898 1/20 0.42
NT5E P21589 1/20 0.38

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
SCHEMBL7205095 0.87 ADORA1 (0.46) ADORA1ADORA2AADORA3HTR2CTMIGD3
SCHEMBL7099680 0.86 ADORA1 (0.57) ADORA1ADORA2AADORA3HTR2CTMIGD3
SCHEMBL7206711 0.84 ADORA1 (0.46) ADORA1ADORA2AADORA3HTR2CTMIGD3
SCHEMBL7205475 0.83 ADORA1 (0.45) ADORA1ADORA2AADORA3HTR2CTMIGD3
SCHEMBL6839866 0.80 PI4KA (0.55) ADORA1ADORA2AADORA3HTR2CTMIGD3
SCHEMBL6839871 0.80 PI4KA (0.55) ADORA1ADORA2AADORA3HTR2CTMIGD3
SCHEMBL7602106 0.78 ADORA2A (0.54) ADORA1ADORA2AADORA3HTR2CTMIGD3
SCHEMBL6839226 0.78 ADORA2A (0.54) ADORA1ADORA2AADORA3HTR2CTMIGD3
SCHEMBL7103815 0.77 ADORA3 (0.48) ADORA1ADORA2AADORA3HTR2CTMIGD3
SCHEMBL7104759 0.75 ADORA3 (0.48) ADORA1ADORA2AADORA3ADORA2BNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP disclosed