SCHEMBL6829149

SCHEMBL6829149

CC(C)[C@@]1(n2cnc3c(N)nc(N)nc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.43
ADORA2A P29274 6/20 0.42
ADORA2B P29275 6/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
SLC29A1 Q99808 2/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5218286 0.90 ADORA2A (0.44) AHCYADORA2AADORA2BCDK1CCNB1
SCHEMBL29721329 0.86 ADORA3 (0.50) AHCYADORA2AADORA2BADORA3ADORA1
SCHEMBL7435441 0.86 ADORA3 (0.50) AHCYADORA2AADORA2BADORA3ADORA1
Benzene SCHEMBL27650186 0.84 PI4KA (0.48) AHCYADORA2AADORA2BADORA3ADORA1
SCHEMBL6685951 0.83 AHCY (0.46) AHCYADORA2AADORA2BCDK1CCNB1
SCHEMBL1938201 0.83 AHCY (0.46) AHCYADORA2AADORA2BCDK1CCNB1
SCHEMBL6393079 0.81 BLM (0.45) ADORA3
SCHEMBL2270700 0.78 ADORA2A (0.51) AHCYADORA2AADORA2BADORA3ADORA1
SCHEMBL31170697 0.78 PI4KA (0.39) ADORA1
SCHEMBL27597373 0.78 PI4KA (0.39) ADORA1

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