SCHEMBL6891149

SCHEMBL6891149

CC1=NC(c2ccc(O)c(-c3cc(N)ccc3F)c2)(C2CC2)N=C1N

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.58
KCNH2 Q12809 5/20 0.58
BACE2 Q9Y5Z0 3/20 0.44
PDE10A Q9Y233 1/20 0.35
APP P05067 6/20 0.33
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL932719 0.90 BACE1 (0.57) BACE1KCNH2BACE2APP
SCHEMBL931135 0.88 BACE1 (0.52) BACE1KCNH2BACE2APP
SCHEMBL931798 0.80 BACE1 (0.58) BACE1KCNH2BACE2APPCDK9
SCHEMBL931244 0.77 BACE1 (0.46) BACE1KCNH2BACE2
SCHEMBL931611 0.75 BACE1 (0.68) BACE1KCNH2BACE2
SCHEMBL931425 0.75 BACE1 (0.52) BACE1KCNH2BACE2APP
SCHEMBL932038 0.74 BACE1 (1.00) BACE1KCNH2BACE2APP
SCHEMBL932165 0.74 BACE1 (0.79) BACE1KCNH2BACE2APP
SCHEMBL932205 0.73 BACE1 (0.61) BACE1KCNH2BACE2APP
SCHEMBL931589 0.67 BACE1 (0.40) BACE1KCNH2BACE2APP

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 1 patent. 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