SCHEMBL2359566

SCHEMBL2359566

Cc1cn(-c2ccc(Nc3nc(C)n(-c4ccc(Cl)cc4Cl)n3)cc2C#N)cn1.Cc1cn(-c2ccc(Nc3ncn(-c4ccccc4)n3)cc2C#N)cn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.42
PSEN2 P49810 17/20 0.42
APH1B Q8WW43 17/20 0.42
NCSTN Q92542 17/20 0.42
APH1A Q96BI3 17/20 0.42
PSENEN Q9NZ42 17/20 0.42
CNR1 P21554 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2359429 0.91 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359076 0.86 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359325 0.84 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359705 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359746 0.76 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359021 0.76 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2801962 0.76 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2360800 0.75 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2360971 0.74 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2800916 0.73 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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-2355817-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed