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SCHEMBL945472

SCHEMBL945472

COc1c(C)cc(C2(c3cccc(-c4c(C)n[nH]c4C)c3)N=C(C)C(N)=N2)cc1C

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.65
▸ BACE2 Q9Y5Z0 2/20 0.65
▸ KCNH2 Q12809 7/20 0.57
▸ CHEK1 O14757 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ IKBKE Q14164 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL933067 0.82 BACE1 (0.65) BACE1BACE2KCNH2
SCHEMBL931666 0.80 BACE1 (0.74) BACE1BACE2KCNH2
SCHEMBL932012 0.80 BACE1 (0.78) BACE1BACE2KCNH2
SCHEMBL932869 0.80 BACE1 (0.65) BACE1BACE2KCNH2
SCHEMBL931639 0.79 BACE1 (1.00) BACE1BACE2KCNH2
SCHEMBL6921764 0.79 BACE1 (1.00) BACE1BACE2KCNH2
SCHEMBL931641 0.79 BACE1 (1.00) BACE1BACE2KCNH2
SCHEMBL932004 0.78 BACE1 (0.69) BACE1BACE2KCNH2
SCHEMBL932576 0.78 BACE1 (0.82) BACE1BACE2KCNH2
SCHEMBL932133 0.78 BACE1 (0.78) BACE1BACE2KCNH2

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-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