SCHEMBL7920123

SCHEMBL7920123

Cc1cn(-c2ccc(Nc3ncn(Cc4cccc(C(F)(F)F)c4)n3)cc2N)cn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.50
PSEN2 P49810 17/20 0.50
APH1B Q8WW43 17/20 0.50
NCSTN Q92542 17/20 0.50
APH1A Q96BI3 17/20 0.50
PSENEN Q9NZ42 17/20 0.50
KCNH2 Q12809 3/20 0.50
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.45

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
SCHEMBL2359787 0.88 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359908 0.87 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13363807 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2361044 0.78 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2360757 0.74 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2360334 0.74 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2800916 0.73 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359898 0.70 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2360177 0.70 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2322817 0.70 PSEN1 (0.41) 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