SCHEMBL4408003

SCHEMBL4408003

CC(=O)Nc1ccc2cc(C)c(Cl)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.44
SCN9A Q15858 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
ADORA3 P0DMS8 5/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SORT1 Q99523 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
DYRK1A Q13627 1/20 0.38
FSCN1 Q16658 1/20 0.38
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 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
SCHEMBL27398574 0.80 PTK2 (0.51) PTK2SCN9ASCN2ASCN3ASCN10A
SCHEMBL11711087 0.78 PTK2 (0.49) PTK2SCN9ASCN2ASCN3ASCN10A
SCHEMBL13175197 0.76 KDM4E (0.45) PTK2ADORA3KDM4ELMNAADORA2B
SCHEMBL5365213 0.75 XIAP (0.51) PTK2SCN9ASCN2ASCN3ASCN10A
SCHEMBL11491259 0.71 XIAP (0.68) ADORA3KDM4ELMNAADORA2BADORA1
SCHEMBL11632340 0.70 L3MBTL1 (0.46) PTK2SCN9ASCN2ASCN3ASCN10A
SCHEMBL28545686 0.70 PTK2 (0.51) PTK2SCN9ASCN2ASCN3ASCN10A
SCHEMBL10129558 0.70 MAPK8 (0.45) PTK2SCN9ASCN2ASCN3ASCN10A
SCHEMBL5363593 0.70 XIAP (0.52) PTK2SCN9ASCN2ASCN3ASCN10A
SCHEMBL9753194 0.70 SORT1 (0.53) PTK2ADORA3KDM4ELMNAADORA1

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-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed