SCHEMBL20219439

SCHEMBL20219439

C=Cc1ncc(OCc2cn3ccccc3n2)c(NCCCC)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 5/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35

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
SCHEMBL23472318 0.87 TLR7 (0.34) TLR7SMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL20219556 0.86 TLR7 (0.51) TLR7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL13195702 0.85 TLR7 (0.60) TLR7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL20219555 0.85 TLR7 (0.50) TLR7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL23472289 0.85 TLR7 (0.50) TLR7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL23472155 0.85 SMN1; SMN2 (0.38) TLR7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL20219493 0.83 SMN1; SMN2 (0.40) TLR7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL20219438 0.82 TLR7 (0.51) TLR7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL20219314 0.79 CYP1A2 (0.39) TLR7KDM4EL3MBTL1CYP1A2PDE10A
SCHEMBL20219466 0.77 TLR7 (0.42) TLR7SMN1; SMN2LMNAKDM4ENPC1

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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