SCHEMBL5584021

SCHEMBL5584021

Nc1ncnc2c1ncn2C/C=C/CCP(=O)([O-])[O-].[H+].[H+]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 9/20 0.61
▸ ADORA2A P29274 6/20 0.49
▸ NT5E P21589 1/20 0.48
▸ ENPP1 P22413 1/20 0.48
▸ ADORA1 P30542 3/20 0.48
▸ PI4KA P42356 2/20 0.48
▸ PI4K2B Q8TCG2 2/20 0.48
▸ PI4K2A Q9BTU6 2/20 0.48
▸ PI4KB Q9UBF8 2/20 0.48
▸ ADORA2B P29275 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL11378379 0.86 AHCY (0.66) AHCYADORA2AENPP1ADORA1PI4KA
SCHEMBL1733018 0.86 AHCY (0.66) AHCYADORA2AENPP1ADORA1PI4KA
SCHEMBL1733016 0.86 AHCY (0.66) AHCYADORA2AENPP1ADORA1PI4KA
SCHEMBL11307115 0.84 AHCY (0.63) AHCYADORA2AADORA1PI4KAPI4K2B
Butane SCHEMBL1731733 0.82 AHCY (0.60) AHCYADORA2AENPP1ADORA1PI4KA
SCHEMBL11383312 0.77 FGFR1 (0.53) AHCYENPP1FGFR1SLC22A6
SCHEMBL6158904 0.74 AHCY (0.76) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL2561529 0.74 AHCY (0.66) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL11303981 0.72 FGFR1 (0.69) ENPP1FGFR1
SCHEMBL9563483 0.72 AHCY (0.60) AHCYADORA2AENPP1ADORA1PI4KA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866319-A1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-19 — — EP disclosed
WO-2006137953-A1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS THE REGENTS OF THE UNIVERISITY OF CALIFORNIA (US) 2006-12-28 — — WO disclosed
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