SCHEMBL20057162

SCHEMBL20057162

C[C@H]1C[C@@H](CC(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.49
▸ HINT1 P49773 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ FUT5 Q11128 1/20 0.47
▸ STING1 Q86WV6 4/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ NT5E P21589 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ GSK3A P49840 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ POLB P06746 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
SCHEMBL20059041 0.89 HPGD (0.52) TAAR1HINT1HPGDFUT5STING1
SCHEMBL19882058 0.89 HPGD (0.52) TAAR1HINT1HPGDFUT5STING1
SCHEMBL19242512 0.89 HPGD (0.52) TAAR1HINT1HPGDFUT5STING1
SCHEMBL19035691 0.89 HPGD (0.52) TAAR1HINT1HPGDFUT5STING1
SCHEMBL21562192 0.89 HPGD (0.52) TAAR1HINT1HPGDFUT5STING1
SCHEMBL20056927 0.87 HINT1 (0.49) TAAR1HINT1HPGDFUT5STING1
SCHEMBL23010685 0.82 HINT1 (0.54) TAAR1HINT1HPGDFUT5STING1
SCHEMBL22475042 0.80 FUT5 (0.64) HINT1FUT5NT5EPOLB
SCHEMBL23584319 0.80 FUT5 (0.64) HINT1FUT5NT5EPOLB
SCHEMBL15833359 0.80 FUT5 (0.64) HINT1FUT5NT5EPOLB

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-2935303-B1 4'-FLUORO-NUCLEOSIDES, 4'-FLUORO-NUCLEOTIDES AND ANALOGS THEREOF FOR THE TREATMENT OF HCV JANSSEN BIOPHARMA INC (US) 2021-02-17 — — EP disclosed
EP-2655392-B1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2018-04-18 — — EP disclosed
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