SCHEMBL9620148

SCHEMBL9620148

CNc1ncnc2c1ncn2[C@@H]1O[C@H](COC)C(O)C1O

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.74
ADORA1 P30542 3/20 0.66
ADORA2A P29274 1/20 0.63
ADORA2B P29275 1/20 0.63
DOT1L Q8TEK3 2/20 0.59
PRMT1 Q99873 1/20 0.59
RNMT O43148 1/20 0.59

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
SCHEMBL9413282 1.00 ADORA3 (0.74) ADORA3ADORA1ADORA2AADORA2BDOT1L
SCHEMBL2792380 0.91 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BDOT1L
SCHEMBL21311160 0.89 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BDOT1L
SCHEMBL6663002 0.88 ADORA3 (0.71) ADORA3ADORA1DOT1L
SCHEMBL6662994 0.88 ADORA3 (0.71) ADORA3ADORA1DOT1L
SCHEMBL21311440 0.88 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2BDOT1L
SCHEMBL23647923 0.87 ADORA3 (0.72) ADORA3ADORA1
SCHEMBL20801120 0.87 ADORA3 (0.72) ADORA3ADORA1
SCHEMBL40635 0.87 ADORA3 (0.72) ADORA3ADORA1
SCHEMBL40634 0.87 ADORA3 (0.72) ADORA3ADORA1

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-0269574-B1 NOVEL ADENOSINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AS AN ACTIVE INGREDIENT NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1992-03-18 EP disclosed