SCHEMBL22474911

SCHEMBL22474911

C[C@]1(CCO)OC(n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.55
▸ HINT1 P49773 3/20 0.51
▸ STING1 Q86WV6 3/20 0.50
▸ PDE3B Q13370 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ NT5E P21589 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.47
▸ GSK3A P49840 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ TK1 P04183 1/20 0.46
▸ TGM2 P21980 1/20 0.45

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
SCHEMBL17471689 0.92 ADORA3 (0.59) ADORA3HINT1STING1PDE3BPDE3A
SCHEMBL3437126 0.92 ADORA3 (0.59) ADORA3HINT1STING1PDE3BPDE3A
SCHEMBL14946268 0.92 ADORA3 (0.59) ADORA3HINT1STING1PDE3BPDE3A
SCHEMBL14853765 0.92 ADORA3 (0.59) ADORA3HINT1STING1PDE3BPDE3A
SCHEMBL3437123 0.92 ADORA3 (0.59) ADORA3HINT1STING1PDE3BPDE3A
SCHEMBL22644423 0.90 HINT1 (0.55) ADORA3HINT1STING1PDE3BPDE3A
SCHEMBL15305496 0.88 ADORA3 (0.48) ADORA3HINT1STING1PDE3BPDE3A
SCHEMBL25581013 0.87 ADORA3 (0.53) ADORA3HINT1STING1PDE3BPDE3A
SCHEMBL14948887 0.85 ADORA3 (0.56) ADORA3HINT1STING1PDE3BPDE3A
SCHEMBL562135 0.83 ADORA3 (0.59) ADORA3HINT1STING1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013340-B9 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICALS INC (US) 2023-10-04 — — EP disclosed
EP-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 — — 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
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