Sugi Predict

Sugi Predict / Compounds / SCHEMBL931202

SCHEMBL931202

SCHEMBL931202

CC1=NC(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)(C2CC2)N=C1N

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.59
▸ APP P05067 2/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ BACE2 Q9Y5Z0 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
SCHEMBL931182 0.88 BACE1 (0.51) BACE1KCNH2BACE2
SCHEMBL6891921 0.87 BACE1 (0.52) BACE1
SCHEMBL931151 0.86 BACE1 (0.51) BACE1KCNH2BACE2
SCHEMBL932487 0.85 BACE1 (0.60) BACE1APPBACE2
SCHEMBL932477 0.83 BACE1 (0.52) BACE1KCNH2BACE2
SCHEMBL1025970 0.82 BACE1 (0.53) BACE1APPKCNH2BACE2
SCHEMBL18926487 0.80 BACE1 (0.65) BACE1APP
SCHEMBL14889556 0.76 BACE1 (0.72) BACE1APP
SCHEMBL14481715 0.74 BACE1 (1.00) BACE1APPBACE2
SCHEMBL14481796 0.74 BACE1 (1.00) BACE1APPBACE2

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 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