SCHEMBL7920112

SCHEMBL7920112

Bc1cc(C2(c3cc(C)c(OC)c(C)n3)N=C(N)c3c(F)cccc32)ccn1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.70
KCNH2 Q12809 17/20 0.70
BACE2 Q9Y5Z0 4/20 0.70

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
SCHEMBL2468342 0.89 BACE1 (0.67) BACE1KCNH2BACE2
SCHEMBL7909312 0.88 BACE1 (0.57) BACE1KCNH2BACE2
SCHEMBL2470718 0.85 BACE1 (0.79) BACE1KCNH2BACE2
SCHEMBL2467264 0.84 BACE1 (0.73) BACE1KCNH2BACE2
SCHEMBL2466405 0.82 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL2437546 0.80 BACE1 (0.55) BACE1KCNH2BACE2
SCHEMBL2466549 0.76 BACE1 (0.56) BACE1KCNH2BACE2
SCHEMBL2465885 0.75 BACE1 (0.54) BACE1KCNH2BACE2
SCHEMBL2426629 0.75 BACE1 (0.58) BACE1KCNH2BACE2
SCHEMBL7918702 0.74 BACE1 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056196-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed