SCHEMBL7940914

SCHEMBL7940914

Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCC(Cc3ccc(O)cc3)C2)nc2ncn(C)c12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.60
PSEN2 P49810 5/20 0.60
APH1B Q8WW43 5/20 0.60
NCSTN Q92542 5/20 0.60
APH1A Q96BI3 5/20 0.60
PSENEN Q9NZ42 5/20 0.60
BRAF P15056 14/20 0.39
LCK P06239 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
SCHEMBL2521395 0.92 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2524202 0.91 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2522394 0.87 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2524327 0.84 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12213679 0.83 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7940703 0.81 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7939045 0.81 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2522666 0.81 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2520917 0.81 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2519571 0.80 PSEN1 (0.68) 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