SCHEMBL4591152

SCHEMBL4591152

Cc1nc(-c2ccc(F)cc2C#N)[nH]c1CN(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.43
HSP90AB1 P08238 4/20 0.37
LRRK2 Q5S007 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ABL1 P00519 1/20 0.33
DHODH Q02127 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32

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
SCHEMBL4591433 0.89 POLB (0.35) NMT1HSP90AB1LRRK2PRMT5WDR77
SCHEMBL4591714 0.86 KDM4E (0.39) LRRK2
SCHEMBL4592213 0.86 PTGES (0.42) NMT1LRRK2
SCHEMBL4591409 0.86 LRRK2 (0.34) NMT1LRRK2
SCHEMBL4590930 0.86 ALOX5AP (0.40) NMT1LRRK2DHODH
SCHEMBL4592030 0.86 NMT1 (0.33) NMT1LRRK2
SCHEMBL4591465 0.84 KDM4E (0.40) PRMT5WDR77
SCHEMBL4591626 0.84 PTGES (0.41) NMT1LRRK2GABRA1GABRG2GABRB3
SCHEMBL4591509 0.83 XDH (0.40) DHODH
SCHEMBL5181453 0.82 VCAM1 (0.40) DHODH

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-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
EP-1828194-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
WO-2006063708-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed