SCHEMBL7930159

SCHEMBL7930159

CC[C@@H]1CN(c2nc(Nc3cc(C(C)(C)C)ccc3C)c3c(ncn3C(C)C)n2)CCN1c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.51
PSEN2 P49810 7/20 0.51
APH1B Q8WW43 7/20 0.51
NCSTN Q92542 7/20 0.51
APH1A Q96BI3 7/20 0.51
PSENEN Q9NZ42 7/20 0.51
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
CCNE2 O96020 3/20 0.34
BRAF P15056 4/20 0.34
CDK1 P06493 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL2525988 0.83 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2524155 0.83 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2525686 0.82 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2523693 0.78 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2526744 0.77 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2528367 0.77 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2526609 0.76 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2524215 0.76 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2523287 0.75 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2521384 0.75 PSEN1 (0.56) 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-2010019392-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed