SCHEMBL7917420

SCHEMBL7917420

Cc1cn(-c2ccc(Nc3nc(Cc4ccccc4)ns3)cc2N)cn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.52
PSEN2 P49810 20/20 0.52
APH1B Q8WW43 20/20 0.52
NCSTN Q92542 20/20 0.52
APH1A Q96BI3 20/20 0.52
PSENEN Q9NZ42 20/20 0.52
KCNH2 Q12809 1/20 0.39

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
SCHEMBL2321308 0.86 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7922094 0.77 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2361280 0.74 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1040403 0.69 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4101711 0.67 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4100081 0.67 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7918446 0.67 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4096608 0.66 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3413389 0.65 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3412926 0.65 PSEN1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed