SCHEMBL3661496

SCHEMBL3661496

COc1cc(Nc2ncc3c(n2)C(c2ccccn2)CCC3)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.40
PSEN2 P49810 8/20 0.40
APH1B Q8WW43 8/20 0.40
NCSTN Q92542 8/20 0.40
APH1A Q96BI3 8/20 0.40
PSENEN Q9NZ42 8/20 0.40
PTK2 Q05397 3/20 0.40
KDR P35968 2/20 0.38
PLK1 P53350 3/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ULK1 O75385 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35

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
SCHEMBL3663840 0.90 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3662460 0.85 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3659216 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3665907 0.84 PLK1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3657821 0.84 PLK1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3661349 0.84 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3665261 0.84 PLK1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3666797 0.84 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3666075 0.83 KDR (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3661161 0.83 PLK1 (0.38) 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-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed