SCHEMBL6829360

SCHEMBL6829360

CC(CN)n1c(N)nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.57
ADORA2B P29275 4/20 0.57
CYP2C19 P33261 1/20 0.56
ADORA3 P0DMS8 4/20 0.56
SLC29A1 Q99808 2/20 0.55
LMNA P02545 1/20 0.55
NT5E P21589 1/20 0.55
HIF1A Q16665 1/20 0.55
ADORA1 P30542 1/20 0.55

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
SCHEMBL1138803 0.91 ADORA2A (0.60) ADORA2AADORA2BCYP2C19ADORA3SLC29A1
SCHEMBL7752324 0.90 ADORA2A (0.59) ADORA2AADORA2BCYP2C19ADORA3SLC29A1
SCHEMBL195449 0.88 ADORA3 (0.57) ADORA2AADORA2BCYP2C19ADORA3SLC29A1
SCHEMBL7867680 0.88 ADORA2A (0.60) ADORA2AADORA2BCYP2C19ADORA3SLC29A1
SCHEMBL15413277 0.87 ADORA2A (0.55) ADORA2AADORA2BCYP2C19ADORA3SLC29A1
SCHEMBL5501190 0.85 ADORA2A (0.56) ADORA2AADORA2BCYP2C19ADORA3SLC29A1
SCHEMBL62505 0.83 CYP2C19 (0.62) ADORA2AADORA2BCYP2C19ADORA3LMNA
SCHEMBL14931005 0.83 CYP2C19 (0.62) ADORA2AADORA2BCYP2C19ADORA3LMNA
SCHEMBL343478 0.83 CYP2C19 (0.62) ADORA2AADORA2BCYP2C19ADORA3LMNA
SCHEMBL18844803 0.83 CYP2C19 (0.62) ADORA2AADORA2BCYP2C19ADORA3LMNA

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
US-20040214198-A1 Allele-targeted RNA interference UNIVERSITY OF MASSACHUSETTS 2004-10-28 US disclosed
WO-2004046324-A2 ALLELE-TARGETED RNA INTERFERENCE UNIVERSITY OF MASSACHUSETTS (US) 2004-06-03 WO disclosed