SCHEMBL931846

SCHEMBL931846

CC1=NC(c2cccc(-c3cncnc3)c2)(C2CCCCC2)N=C1N

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.82
KCNH2 Q12809 7/20 0.82
BACE2 Q9Y5Z0 4/20 0.68
CTSD P07339 1/20 0.43

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
SCHEMBL931835 0.90 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL6894615 0.85 BACE1 (0.73) BACE1KCNH2BACE2
SCHEMBL932581 0.84 BACE1 (0.92) BACE1KCNH2BACE2
SCHEMBL931841 0.84 BACE1 (0.70) BACE1KCNH2BACE2
SCHEMBL6892665 0.83 BACE1 (0.80) BACE1KCNH2BACE2
SCHEMBL943175 0.81 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL1032043 0.80 BACE1 (0.92) BACE1KCNH2BACE2CTSD
SCHEMBL932626 0.80 BACE1 (0.65) BACE1KCNH2BACE2CTSD
SCHEMBL932246 0.78 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL931281 0.76 BACE1 (0.60) BACE1KCNH2BACE2CTSD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO claimed
WO-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed