SCHEMBL17378466

SCHEMBL17378466

C[C@@]1(Cl)[C@H](O)[C@@H](CO[PH](=O)Oc2ccccc2)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 8/20 0.45
▸ GSK3A P49840 2/20 0.43
▸ RPS6KA3 P51812 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NT5E P21589 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ PNP P00491 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL16377134 0.84 NT5E (0.36) HINT1NT5EADORA3
SCHEMBL23171224 0.83 HINT1 (0.51) HINT1GSK3ARPS6KA3MAPK14HPGD
SCHEMBL15588881 0.80 ADORA2A (0.53) HINT1GSK3ARPS6KA3MAPK14HPGD
SCHEMBL25713349 0.80 HINT1 (0.54) HINT1GSK3ARPS6KA3MAPK14TAAR1
SCHEMBL16480819 0.80 HINT1 (0.41) HINT1GSK3ARPS6KA3MAPK14HPGD
SCHEMBL20059042 0.78 HINT1 (0.44) HINT1GSK3ARPS6KA3MAPK14TAAR1
SCHEMBL16689919 0.78 HINT1 (0.48) HINT1GSK3ARPS6KA3MAPK14TAAR1
SCHEMBL16690082 0.78 HINT1 (0.48) HINT1GSK3ARPS6KA3MAPK14TAAR1
SCHEMBL23348945 0.78 HINT1 (0.48) HINT1GSK3ARPS6KA3MAPK14TAAR1
SCHEMBL20059085 0.78 HINT1 (0.48) HINT1GSK3ARPS6KA3MAPK14TAAR1

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-3797782-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTIONS Janssen BioPharma, Inc. (US) 2021-03-31 — — EP disclosed
EP-3160476-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTION JANSSEN BIOPHARMA INC (US) 2020-09-30 — — EP disclosed
WO-2015200205-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2015-12-30 — — WO disclosed
WO-2015200219-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2015-12-30 — — WO disclosed
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