SCHEMBL19265669

SCHEMBL19265669

CCOC(=O)C1=Cc2cc(-c3cccc(C)c3)ccc2N=C(N=NN)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.49
▸ TLR7 Q9NYK1 2/20 0.49
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL15496644 0.86 TLR8 (0.64) TLR8TLR7JAK2JAK3
SCHEMBL19265485 0.82 TLR8 (0.49) TLR8TLR7SMN1; SMN2MAPK1ALDH1A1
SCHEMBL18771832 0.81 TLR8 (0.54) TLR8TLR7
SCHEMBL19265665 0.81 TLR8 (0.37) TLR8TLR7JAK2MAPTALDH1A1
SCHEMBL18772121 0.80 TLR8 (0.52) TLR8TLR7ALDH1A1HPGDHSD17B10
SCHEMBL18772200 0.77 TLR8 (0.50) TLR8TLR7SMN1; SMN2ALDH1A1LMNA
SCHEMBL18772107 0.77 TLR8 (0.50) TLR8TLR7
SCHEMBL10345313 0.77 TLR8 (0.67) TLR8TLR7MAPTSMN1; SMN2ALDH1A1
SCHEMBL18772071 0.77 TLR8 (0.46) TLR8TLR7MAPTSMN1; SMN2MAPK1
SCHEMBL18772042 0.77 TLR8 (0.49) TLR8TLR7MAPTALDH1A1HPGD

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-3208263-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 — — EP disclosed
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