SCHEMBL11516945

SCHEMBL11516945

CNc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)C(=O)NC2CC2)[C@@H](O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.62
▸ ADORA1 P30542 4/20 0.62
▸ ADORA2A P29274 3/20 0.60
▸ ADORA2B P29275 2/20 0.60
▸ DOT1L Q8TEK3 2/20 0.53
▸ PRMT1 Q99873 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.52
▸ HSP90B1 P14625 1/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PRMT5 O14744 1/20 0.51
▸ WDR77 Q9BQA1 1/20 0.51

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
SCHEMBL9494187 0.87 ADORA2B (0.69) ADORA3ADORA1ADORA2AADORA2BRXFP1
SCHEMBL11518501 0.83 ADORA2B (0.70) ADORA3ADORA1ADORA2AADORA2BRXFP1
SCHEMBL11409631 0.83 ADORA2B (0.70) ADORA3ADORA1ADORA2AADORA2BDOT1L
SCHEMBL11409612 0.83 ADORA2B (0.70) ADORA3ADORA1ADORA2AADORA2BDOT1L
SCHEMBL11415994 0.82 ADORA2B (0.69) ADORA3ADORA1ADORA2AADORA2BDOT1L
SCHEMBL11416011 0.82 ADORA2B (0.69) ADORA3ADORA1ADORA2AADORA2BDOT1L
SCHEMBL9495200 0.79 ADORA2A (0.73) ADORA3ADORA1ADORA2AADORA2BRXFP1
SCHEMBL10579997 0.77 ADORA2A (0.67) ADORA3ADORA1ADORA2AADORA2BRXFP1
SCHEMBL10580014 0.77 ADORA2A (0.67) ADORA3ADORA1ADORA2AADORA2BRXFP1
SCHEMBL9493927 0.77 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2BHSP90B1

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
US-4167565-A Adenosine-5'-carboxamides and method of use ABBOTT LABORATORIES (US) 1979-09-11 — — US disclosed
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