SCHEMBL14178249

SCHEMBL14178249

CC(=O)CCNC(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.82
▸ ADORA2A P29274 4/20 0.82
▸ ADORA2B P29275 4/20 0.82
▸ ADORA1 P30542 3/20 0.82
▸ HSP90B1 P14625 3/20 0.82
▸ HSP90AA1 P07900 2/20 0.82
▸ AHCY P23526 1/20 0.79
▸ TSHR P16473 3/20 0.78
▸ MAPK1 P28482 2/20 0.78
▸ CYP2C19 P33261 1/20 0.78
▸ TMIGD3 P0DMS9 1/20 0.78
▸ RXFP1 Q9HBX9 1/20 0.78
▸ MEN1 O00255 1/20 0.78
▸ CYP2C9 P11712 1/20 0.78
▸ KMT2A Q03164 1/20 0.78
▸ ROCK2 O75116 1/20 0.76
▸ PRKACA P17612 1/20 0.76

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
Neca SCHEMBL19928418 0.88 TSHR (1.00) ADORA3ADORA2AADORA2BADORA1HSP90B1
Neca SCHEMBL29361791 0.88 TSHR (1.00) ADORA3ADORA2AADORA2BADORA1HSP90B1
Neca SCHEMBL30036568 0.88 TSHR (1.00) ADORA3ADORA2AADORA2BADORA1HSP90B1
Neca SCHEMBL16585523 0.88 TSHR (1.00) ADORA3ADORA2AADORA2BADORA1HSP90B1
Neca SCHEMBL30656108 0.88 TSHR (1.00) ADORA3ADORA2AADORA2BADORA1HSP90B1
Neca SCHEMBL18089301 0.88 TSHR (1.00) ADORA3ADORA2AADORA2BADORA1HSP90B1
Neca SCHEMBL19928417 0.88 TSHR (1.00) ADORA3ADORA2AADORA2BADORA1HSP90B1
Neca SCHEMBL12119012 0.88 TSHR (1.00) ADORA3ADORA2AADORA2BADORA1HSP90B1
SCHEMBL25047825 0.86 AHCY (0.84) ADORA3ADORA2AADORA2BADORA1HSP90B1
SCHEMBL32660834 0.86 PRKACA (1.00) ADORA3ADORA2AADORA2BADORA1HSP90B1

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-7371852-B2 Alkyl-linked nucleotide compositions SERENEX, INC. (US) 2008-05-13 — — US disclosed
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