SCHEMBL2554832

SCHEMBL2554832

Nc1nc2ccccc2c2c(CO)cc(F)nc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
TLR7 Q9NYK1 12/20 0.39
TLR8 Q9NR97 8/20 0.39
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RUNX1 Q01196 1/20 0.37
KMT2A Q03164 1/20 0.37
CBFB Q13951 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TYMS P04818 1/20 0.37
DCPS Q96C86 1/20 0.37
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36

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
SCHEMBL1010420 0.77 LMNA (0.44) ADORA3ADORA2ATLR7TLR8ADORA1
SCHEMBL1058579 0.72 ADORA3 (0.49) ADORA3ADORA2ATLR7TLR8ADORA1
SCHEMBL1061480 0.69 TLR8 (0.55) TLR7TLR8
SCHEMBL1008810 0.68 TLR7 (0.46) ADORA3ADORA2ATLR7TLR8ADORA1
SCHEMBL832149 0.68 BACE1 (0.58) ADORA3KDM4ELMNAMAPTHTT
SCHEMBL4278249 0.67 KDM4E (0.49) ADORA3KDM4EMEN1MITFLMNA
SCHEMBL1010419 0.67 TLR7 (0.44) ADORA3ADORA2ATLR7TLR8ADORA1
SCHEMBL27764043 0.66 KDM4E (0.38) ADORA3ADORA2AKDM4ELMNAMAPT
SCHEMBL1008620 0.66 TLR7 (0.51) ADORA3ADORA2ATLR7TLR8ADORA1
SCHEMBL1232719 0.66 TLR7 (0.47) ADORA3ADORA2ATLR7TLR8ADORA1

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-2558069-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF Novartis AG (CH) 2013-02-20 EP disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 WO disclosed