SCHEMBL932233

SCHEMBL932233

COc1cccc(-c2cccc(C3(c4ccncc4)N=C(C)C(N)=N3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
KCNH2 Q12809 8/20 0.71
BACE2 Q9Y5Z0 2/20 0.58
CTSD P07339 1/20 0.54

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
SCHEMBL933023 0.86 BACE1 (0.75) BACE1KCNH2BACE2
SCHEMBL932101 0.85 BACE1 (0.73) BACE1KCNH2BACE2CTSD
SCHEMBL933032 0.83 BACE1 (0.79) BACE1KCNH2BACE2CTSD
SCHEMBL932522 0.83 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL932620 0.81 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL931912 0.81 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL932012 0.81 BACE1 (0.78) BACE1KCNH2BACE2
SCHEMBL944390 0.81 BACE1 (0.68) BACE1KCNH2BACE2CTSD
SCHEMBL944524 0.81 BACE1 (0.68) BACE1KCNH2BACE2
SCHEMBL6920585 0.80 BACE1 (0.80) BACE1KCNH2BACE2

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-2011002407-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-2011002407-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-2011002407-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