SCHEMBL31228188

SCHEMBL31228188

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@](F)(CO)[C@@H](O)[C@]1(F)Br

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.38
▸ ADORA3 P0DMS8 3/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ SLC29A1 Q99808 5/20 0.36
▸ HSP90B1 P14625 1/20 0.35
▸ HINT1 P49773 1/20 0.35
▸ PGK1 P00558 1/20 0.34
▸ PGK2 P07205 1/20 0.34
▸ AHCY P23526 1/20 0.33

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
SCHEMBL16647595 0.91 ADORA2A (0.39) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL31228203 0.90 ADORA2A (0.39) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL31228206 0.89 ADORA2A (0.38) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL31228544 0.88 ADORA2A (0.39) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL16647433 0.86 ADORA2A (0.35) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL16373866 0.85 ADORA2A (0.36) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL17863693 0.84 ADORA2A (0.38) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL22474872 0.83 ADORA2A (0.37) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL20754490 0.83 ADORA2A (0.40) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL18672103 0.83 ADORA2A (0.40) ADORA2AADORA3ADORA1ADORA2BCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705313-A2 4'-SUBSTITUTED NUCLEOSIDES AND NUCLEOTIDES AS ANTIVIRAL AGENTS The Scripps Research Institute (US) 2026-03-11 — — EP claimed
WO-2024227159-A2 4'-SUBSTITUTED NUCLEOSIDES AND NUCLEOTIDES AS ANTIVIRAL AGENTS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-10-31 — — WO claimed
EP-4705313-A2 4'-SUBSTITUTED NUCLEOSIDES AND NUCLEOTIDES AS ANTIVIRAL AGENTS The Scripps Research Institute (US) 2026-03-11 — — EP disclosed
WO-2024227159-A2 4'-SUBSTITUTED NUCLEOSIDES AND NUCLEOTIDES AS ANTIVIRAL AGENTS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-10-31 — — WO disclosed
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