SCHEMBL932149

SCHEMBL932149

CC1=NC(C)(c2cccc(-c3cccnc3)c2)N=C1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 1.00
KCNH2 Q12809 4/20 0.64
MEN1 O00255 1/20 0.49
PSIP1 O75475 1/20 0.49
AXL P30530 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
BACE2 Q9Y5Z0 2/20 0.47

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
SCHEMBL932353 0.82 BACE1 (0.69) BACE1KCNH2MEN1PSIP1AXL
SCHEMBL932295 0.82 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL932138 0.78 BACE1 (1.00) BACE1KCNH2
SCHEMBL6893840 0.78 BACE1 (1.00) BACE1KCNH2
SCHEMBL932452 0.78 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL931835 0.76 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL932287 0.76 BACE1 (0.75) BACE1KCNH2BACE2
SCHEMBL932522 0.76 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL932576 0.75 BACE1 (0.82) BACE1KCNH2BACE2
SCHEMBL945358 0.74 BACE1 (0.58) BACE1KCNH2

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
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