SCHEMBL3663912

SCHEMBL3663912

COc1cc(Nc2ncc3c(n2)C(N2CCCCC2)CCC3)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
CDK4 P11802 5/20 0.39
CCND1 P24385 5/20 0.39
TNK2 Q07912 1/20 0.37
BRD4 O60885 6/20 0.37
PLK1 P53350 2/20 0.37
EGFR P00533 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
PTK2 Q05397 1/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
EHMT2 Q96KQ7 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
SCHEMBL3664634 0.99 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3662766 0.93 PKMYT1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3665261 0.87 PLK1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3665907 0.86 PLK1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3657821 0.86 PLK1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3662116 0.85 PDGFRB (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3661161 0.84 PLK1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3660797 0.83 PLK1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3663840 0.83 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3659216 0.82 PSEN1 (0.42) 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