SCHEMBL20219396

SCHEMBL20219396

CCCCNc1nc(C)ncc1OCCOCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 11/20 0.35
▸ TLR7 Q9NYK1 6/20 0.35
▸ CRHR1 P34998 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL15470375 0.87 L3MBTL1 (0.47) TLR8TLR7L3MBTL1
SCHEMBL23472526 0.85 TLR8 (0.47) TLR8TLR7CYP3A4ALDH1A1POLB
SCHEMBL23472109 0.85 TLR8 (0.38) TLR8TLR7CRHR1CYP3A4ALDH1A1
SCHEMBL20219702 0.84 ALDH1A1 (0.35) TLR8TLR7ALDH1A1POLBL3MBTL1
SCHEMBL23472288 0.83 TLR8 (0.38) TLR8TLR7CRHR1CYP3A4L3MBTL1
SCHEMBL20219386 0.82 SCN9A (0.36) TLR8TLR7CRHR1CYP3A4ALDH1A1
SCHEMBL23472702 0.81 CCNB2 (0.35) TLR8TLR7CYP3A4ALDH1A1POLB
SCHEMBL20219381 0.81 TLR8 (0.34) TLR8TLR7CRHR1CYP3A4ALDH1A1
SCHEMBL20219543 0.80 TLR8 (0.47) TLR8TLR7CYP3A4ALDH1A1POLB
SCHEMBL20219391 0.80 TLR8 (0.35) TLR8TLR7CRHR1CYP3A4ALDH1A1

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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