SCHEMBL11703003

SCHEMBL11703003

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)C(=O)NCCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.62
CARM1 Q86X55 3/20 0.57
GNMT Q14749 1/20 0.57
WDR5 P61964 1/20 0.56
KMT2A Q03164 1/20 0.56
RBBP5 Q15291 1/20 0.56
DPY30 Q9C005 1/20 0.56
ASH2L Q9UBL3 1/20 0.56
PRKACA P17612 1/20 0.55
DOT1L Q8TEK3 3/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54

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
SCHEMBL11417476 0.87 ADORA2A (0.69) AHCYKMT2APRKACAADORA3ADORA2A
SCHEMBL11417494 0.87 ADORA2A (0.69) AHCYKMT2APRKACAADORA3ADORA2A
SCHEMBL11135017 0.85 AHCY (0.71) AHCYKMT2ADOT1LADORA3ADORA2A
SCHEMBL11135029 0.85 AHCY (0.71) AHCYKMT2ADOT1LADORA3ADORA2A
SCHEMBL1000839 0.85 ADORA2B (0.69) AHCYKMT2AADORA3ADORA2AADORA2B
SCHEMBL11413667 0.85 ADORA2B (0.69) AHCYKMT2AADORA3ADORA2AADORA2B
SCHEMBL11409693 0.84 ADORA3 (0.57) AHCYKMT2ADOT1LADORA3ADORA2A
SCHEMBL11409684 0.84 ADORA3 (0.57) AHCYKMT2ADOT1LADORA3ADORA2A
SCHEMBL11701898 0.84 HSP90B1 (0.58) AHCYKMT2AADORA3ADORA2AADORA2B
SCHEMBL11420629 0.83 AHCY (0.73) AHCYDOT1L

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-4029884-A Adenosine-5'-carboxylic acid amides ABBOTT LABORATORIES (US) 1977-06-14 US claimed