SCHEMBL22364048

SCHEMBL22364048

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.44
▸ PNP P00491 2/20 0.41
▸ STING1 Q86WV6 4/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ HINT1 P49773 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ TK1 P04183 1/20 0.39
▸ HPRT1 P00492 1/20 0.38

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
SCHEMBL20610987 0.79 ADORA3 (0.49) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL15070724 0.79 ADORA3 (0.49) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL20879526 0.78 STING1 (0.45) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL18479998 0.78 ADORA3 (0.48) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL18477700 0.78 ADORA3 (0.48) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL18477854 0.78 ADORA3 (0.48) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL15966105 0.76 STING1 (0.49) ADORA3STING1PDE3BPDE3AHINT1
SCHEMBL12832017 0.76 ADORA3 (0.48) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL18879836 0.76 ADORA3 (0.46) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL18477720 0.76 ADORA3 (0.46) ADORA3PNPSTING1PDE3BPDE3A

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
US-RE48171-E1 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2020-08-25 — — US disclosed
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