SCHEMBL9019778

SCHEMBL9019778

CNc1nc(N)nc2ncn(COC(COC(C)C)COC(C)C)c12

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.39
TLR8 Q9NR97 4/20 0.33

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
SCHEMBL9019783 0.87 ADORA2A (0.35) TLR7
SCHEMBL9019801 0.82 TLR7 (0.36) TLR7TLR8
SCHEMBL9019771 0.82 CDK1 (0.40) TLR7
SCHEMBL9019743 0.81 ACHE (0.33)
SCHEMBL9019744 0.76 ALDH1A1 (0.32)
SCHEMBL9019822 0.74 MEN1 (0.48)
SCHEMBL9019742 0.73 ACHE (0.33)
SCHEMBL9019773 0.70 PDE3A (0.39)
Rociclovir SCHEMBL29573658 0.68 ALDH1A1 (0.49)
Rociclovir SCHEMBL1228859 0.68 ALDH1A1 (0.49)

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-0452680-B1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AG (DE) 1996-11-06 EP disclosed
EP-0452680-A1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed