SCHEMBL9951994

SCHEMBL9951994

CC1=NC2(CCOc3ccccc32)N=C1N

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.62
APP P05067 18/20 0.62

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
SCHEMBL9948052 0.82 BACE1 (0.74) BACE1APP
SCHEMBL9948524 0.80 BACE1 (0.67) BACE1APP
SCHEMBL9948652 0.77 BACE1 (1.00) BACE1APP
SCHEMBL9948073 0.75 BACE1 (1.00) BACE1APP
SCHEMBL9948109 0.75 BACE1 (1.00) BACE1APP
SCHEMBL9948389 0.74 BACE1 (1.00) BACE1APP
SCHEMBL9948418 0.73 BACE1 (1.00) BACE1APP
SCHEMBL9948402 0.72 BACE1 (1.00) BACE1APP
SCHEMBL9948075 0.72 BACE1 (1.00) BACE1APP
SCHEMBL28808064 0.71 BACE1 (0.73) BACE1APP

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-2655378-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS AstraZeneca AB (SE) 2013-10-30 EP disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 WO disclosed