SCHEMBL23171189

SCHEMBL23171189

C[C@@H]1[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@](F)(CO)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.52
▸ HINT1 P49773 4/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NT5E P21589 1/20 0.47
▸ STING1 Q86WV6 3/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ FUT5 Q11128 1/20 0.44
▸ PNP P00491 1/20 0.44
▸ GSK3A P49840 2/20 0.44
▸ RPS6KA3 P51812 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44

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
SCHEMBL18490509 0.90 ADORA3 (0.57) ADORA3HINT1HPGDNT5ESTING1
SCHEMBL16144340 0.89 ADORA3 (0.53) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL23171036 0.85 ADORA3 (0.50) ADORA3HINT1HPGDNT5ESTING1
SCHEMBL16144341 0.84 ADORA3 (0.51) ADORA3HINT1HPGDNT5ESTING1
SCHEMBL22236552 0.82 ADORA3 (0.47) ADORA3HINT1HPGDNT5ESTING1
SCHEMBL15588481 0.82 ADORA3 (0.47) ADORA3HINT1HPGDNT5ESTING1
SCHEMBL20693191 0.82 FUT5 (0.54) HINT1NT5ESTING1FUT5PNP
SCHEMBL20611193 0.81 ADORA3 (0.54) ADORA3HINT1HPGDNT5ESTING1
SCHEMBL20611229 0.81 ADORA3 (0.52) ADORA3HINT1HPGDNT5ESTING1
SCHEMBL15833022 0.81 ADORA3 (0.52) ADORA3HINT1HPGDNT5ESTING1

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 1 patent. 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
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