SCHEMBL19265488

SCHEMBL19265488

CNC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(N)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.58
TLR7 Q9NYK1 7/20 0.50
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
ATR Q13535 2/20 0.39
PRKDC P78527 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
CSF1R P07333 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10325898 0.90 TLR8 (0.57) TLR8TLR7HPGDMAPK1ALDH1A1
SCHEMBL20646538 0.89 TLR8 (0.61) TLR8TLR7HPGDMAPK1
SCHEMBL10343530 0.88 TLR8 (0.58) TLR8TLR7HPGDMAPK1ALDH1A1
SCHEMBL10325171 0.87 TLR8 (0.60) TLR8TLR7HPGDMAPK1ALDH1A1
SCHEMBL10325458 0.86 TLR8 (0.66) TLR8TLR7HPGDMAPK1ABL1
SCHEMBL10325097 0.83 TLR8 (0.63) TLR8TLR7HPGDL3MBTL1
SCHEMBL10325503 0.83 TLR8 (0.56) TLR8TLR7HPGDMAPK1ABL1
SCHEMBL10345032 0.82 TLR8 (0.53) TLR8TLR7HPGDMAPK1ALDH1A1
SCHEMBL10325919 0.82 TLR8 (0.86) TLR8TLR7
SCHEMBL15499091 0.81 TLR8 (0.58) TLR8TLR7HPGDMAPK1

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-3208263-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 EP disclosed
EP-3207930-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 EP disclosed