SCHEMBL22364086

SCHEMBL22364086

C=C[C@]12O[C@@H](n3cnc4c(OCC)nc(N)nc43)[C@H](F)[C@@]1(O)C2O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 6/20 0.37
▸ ADORA3 P0DMS8 7/20 0.37
▸ ADORA1 P30542 6/20 0.37
▸ ADORA2B P29275 5/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ HINT1 P49773 1/20 0.35
▸ NT5E P21589 1/20 0.33
▸ PGK1 P00558 1/20 0.33
▸ PGK2 P07205 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
SCHEMBL15070700 0.80 SLC29A1 (0.39) SLC29A1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22241451 0.79 SLC29A1 (0.35) SLC29A1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL20879526 0.76 STING1 (0.45) ADORA3HINT1NT5E
SCHEMBL21063965 0.76 SLC29A1 (0.35) SLC29A1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL15255196 0.75 SLC29A1 (0.41) SLC29A1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL21063966 0.74 SLC29A1 (0.40) SLC29A1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL18656236 0.73 ADORA2A (0.46) SLC29A1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL18877363 0.72 ADORA2A (0.39) SLC29A1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL8970907 0.72 ADORA2A (0.62) SLC29A1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL8970895 0.72 ADORA2A (0.62) SLC29A1ADORA3ADORA1ADORA2BADORA2A

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-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
US-RE48171-E1 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2020-08-25 — — US disclosed
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