SCHEMBL1703699

SCHEMBL1703699

CCOC(=O)C=Cc1ccc2c(c1)nc(N)c1ncc(C(C)Cc3ccc(OC)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.48
TLR8 Q9NR97 1/20 0.42
GRM2 Q14416 6/20 0.41
FDPS P14324 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MET P08581 2/20 0.38

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
SCHEMBL1008796 0.90 TLR7 (0.48) TLR7GRM2HDAC1HDAC2HDAC11
SCHEMBL1059384 0.90 TLR7 (0.48) TLR7GRM2HDAC1HDAC2HDAC11
SCHEMBL1009183 0.85 TLR7 (0.46) TLR7GRM2TDP1
SCHEMBL1527519 0.85 TLR7 (0.64) TLR7GRM2
SCHEMBL11891212 0.85 TLR7 (0.64) TLR7GRM2
SCHEMBL1057437 0.85 TLR7 (0.47) TLR7TLR8GRM2
SCHEMBL16735809 0.83 TLR7 (0.45) TLR7GRM2
SCHEMBL1056013 0.81 TLR7 (0.47) TLR7GRM2
SCHEMBL1009607 0.80 TLR7 (0.46) TLR7GRM2
SCHEMBL1527588 0.80 TLR7 (0.65) TLR7GRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558069-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF Novartis AG (CH) 2013-02-20 EP disclosed
EP-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 EP disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 WO disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 WO disclosed