SCHEMBL384002

SCHEMBL384002

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@](C)(O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.59
TYMP P19971 5/20 0.54
ADORA1 P30542 2/20 0.53
ADORA3 P0DMS8 2/20 0.47
NT5E P21589 2/20 0.47

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
SCHEMBL21905179 0.91 TYMP (0.53) ADORA2ATYMPADORA1ADORA3NT5E
SCHEMBL16715145 0.84 ADORA1 (0.75) TYMPADORA1
SCHEMBL1068571 0.84 ADORA1 (0.75) TYMPADORA1
SCHEMBL15993919 0.84 ADORA1 (0.75) TYMPADORA1
SCHEMBL8359104 0.84 ADORA1 (0.75) TYMPADORA1
SCHEMBL1774838 0.83 TYMP (0.63) TYMPADORA1NT5E
SCHEMBL1774839 0.83 TYMP (0.63) TYMPADORA1NT5E
SCHEMBL29529385 0.83 TYMP (0.63) TYMPADORA1NT5E
SCHEMBL29574745 0.83 TYMP (0.63) TYMPADORA1NT5E
SCHEMBL7871248 0.83 TYMP (0.63) TYMPADORA1NT5E

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-2408306-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS Alios Biopharma, Inc. (US) 2012-01-25 EP disclosed