SCHEMBL5136389

SCHEMBL5136389

CN1C(=O)C(c2cc[c]cc2)(c2cccc(-c3ccnc(F)c3)c2)N=C1N

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.64
BACE2 Q9Y5Z0 11/20 0.63
CTSD P07339 8/20 0.63

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
SCHEMBL4785264 0.87 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL4783931 0.84 BACE1 (0.82) BACE1BACE2CTSD
SCHEMBL4785604 0.83 BACE1 (0.85) BACE1BACE2CTSD
SCHEMBL4783117 0.80 BACE1 (0.85) BACE1BACE2CTSD
SCHEMBL4511490 0.79 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL5067087 0.79 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL4233968 0.79 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL4232605 0.78 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL5135046 0.78 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL4240953 0.78 BACE1 (0.86) BACE1BACE2CTSD

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-1979324-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER'S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-10-15 EP claimed
WO-2007058602-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA. ASTRAZENECA AB (SE) 2007-05-24 WO claimed