SCHEMBL23472288

SCHEMBL23472288

CCCCCCCCOc1cnc(C)nc1NCCCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 13/20 0.38
▸ TLR7 Q9NYK1 6/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ CRHR1 P34998 1/20 0.36

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
SCHEMBL20219304 0.87 TLR8 (0.36) TLR8TLR7CYP3A4L3MBTL1CRHR1
SCHEMBL23472323 0.86 TLR8 (0.54) TLR8TLR7
SCHEMBL23472526 0.85 TLR8 (0.47) TLR8TLR7CYP3A4L3MBTL1NPSR1
SCHEMBL23472109 0.85 TLR8 (0.38) TLR8TLR7CYP3A4L3MBTL1NPSR1
SCHEMBL13195679 0.84 L3MBTL1 (0.54) TLR8TLR7L3MBTL1
SCHEMBL20219572 0.83 CYP2D6 (0.43) TLR8TLR7CYP3A4LMNASMN1; SMN2
SCHEMBL20219723 0.83 ALDH1A1 (0.38) TLR8TLR7CRHR1
SCHEMBL20219396 0.83 TLR8 (0.35) TLR8TLR7CYP3A4L3MBTL1NPSR1
SCHEMBL13195077 0.82 L3MBTL1 (0.56) TLR8TLR7L3MBTL1
SCHEMBL20219386 0.82 SCN9A (0.36) TLR8TLR7CYP3A4L3MBTL1KDM4E

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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