SCHEMBL12281166

SCHEMBL12281166

C#C[C@]1(F)C(n2cnc3c(=O)[nH]c(N)nc32)OC(CO)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
HPGD P15428 2/20 0.47
HINT1 P49773 1/20 0.45
NT5E P21589 1/20 0.45
ADORA2A P29274 2/20 0.44
PNP P00491 2/20 0.42
GSK3A P49840 2/20 0.42
RPS6KA3 P51812 2/20 0.42
MAPK14 Q16539 2/20 0.42
POLB P06746 1/20 0.42
HPRT1 P00492 1/20 0.42
STING1 Q86WV6 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
TGM2 P21980 1/20 0.42

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
SCHEMBL12151814 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL16021599 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL15788003 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL12149979 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL1375512 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL1375510 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL12194531 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL16023838 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL20977459 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL15045985 0.89 HINT1 (0.48) ADORA3HPGDHINT1NT5EPNP

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
WO-2012154321-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-11-15 WO disclosed
WO-2011123586-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2011-10-06 WO disclosed