SCHEMBL23472526

SCHEMBL23472526

CCCCNc1nc(C)ncc1OCCOCCOC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 6/20 0.47
▸ TLR7 Q9NYK1 5/20 0.47
▸ CYP3A4 P08684 2/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ PDE4B Q07343 2/20 0.35
▸ PDE7A Q13946 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 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
SCHEMBL13195704 0.86 TLR8 (0.58) TLR8TLR7L3MBTL1
SCHEMBL23472288 0.85 TLR8 (0.38) TLR8TLR7CYP3A4L3MBTL1NPSR1
SCHEMBL20219396 0.85 TLR8 (0.35) TLR8TLR7CYP3A4ALDH1A1POLB
SCHEMBL20219386 0.84 SCN9A (0.36) TLR8TLR7CYP3A4ALDH1A1POLB
SCHEMBL20219381 0.83 TLR8 (0.34) TLR8TLR7CYP3A4ALDH1A1POLB
SCHEMBL20219723 0.82 ALDH1A1 (0.38) TLR8TLR7ALDH1A1POLB
SCHEMBL20219543 0.82 TLR8 (0.47) TLR8TLR7CYP3A4ALDH1A1POLB
SCHEMBL23472109 0.82 TLR8 (0.38) TLR8TLR7CYP3A4ALDH1A1TSHR
SCHEMBL13195128 0.82 TLR8 (0.62) TLR8TLR7L3MBTL1
SCHEMBL20219572 0.80 CYP2D6 (0.43) TLR8TLR7CYP3A4ALDH1A1TSHR

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
Send feedback