SCHEMBL12445830

SCHEMBL12445830

C#CCCOc1cnc(C(=O)Nc2ccc(CC)c(C3(C)CC(=O)N(C)C(N)=N3)c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.64
BACE2 Q9Y5Z0 8/20 0.48

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
SCHEMBL7944657 0.91 BACE1 (0.77) BACE1BACE2
SCHEMBL7944220 0.86 BACE1 (0.85) BACE1
SCHEMBL7944293 0.86 BACE1 (0.66) BACE1BACE2
SCHEMBL7944649 0.83 BACE1 (0.84) BACE1BACE2
SCHEMBL7945162 0.83 BACE1 (0.79) BACE1BACE2
SCHEMBL7941778 0.83 BACE1 (0.86) BACE1BACE2
SCHEMBL7946458 0.82 BACE1 (0.78) BACE1BACE2
SCHEMBL7944231 0.81 BACE1 (0.79) BACE1BACE2
SCHEMBL7946543 0.81 BACE1 (0.79) BACE1BACE2
SCHEMBL7939448 0.81 BACE1 (0.79) BACE1BACE2

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
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP disclosed