SCHEMBL3662338

SCHEMBL3662338

Cc1c[nH]c(-c2ccc(Nc3ncc4c(n3)C(c3ccccc3)CCC4)cc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.44
PSEN2 P49810 17/20 0.44
APH1B Q8WW43 17/20 0.44
NCSTN Q92542 17/20 0.44
APH1A Q96BI3 17/20 0.44
PSENEN Q9NZ42 17/20 0.44
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
ULK1 O75385 1/20 0.34

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
SCHEMBL3660232 0.90 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3662998 0.89 ULK1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3663840 0.88 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3662460 0.84 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3661349 0.83 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3659216 0.80 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3664538 0.80 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3664169 0.80 PLK1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3656955 0.80 CDK2 (0.37) CCNA2CDK2ULK1
SCHEMBL1616853 0.80 PSEN1 (0.69) 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