SCHEMBL12445836

SCHEMBL12445836

Cn1nc(Cl)cc1C(=O)Nc1ccc(F)c(C2(C)CC(=O)NC(N)=N2)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.49
BACE2 Q9Y5Z0 8/20 0.47

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
SCHEMBL7942808 0.86 BACE1 (0.59) BACE1BACE2
SCHEMBL12445502 0.84 BACE1 (0.53) BACE1
SCHEMBL13306306 0.80 BACE1 (0.70) BACE1BACE2
SCHEMBL10210438 0.80 BACE1 (0.70) BACE1BACE2
SCHEMBL12446176 0.79 BACE1 (0.57) BACE1BACE2
SCHEMBL12445623 0.79 BACE1 (0.53) BACE1BACE2
SCHEMBL12445579 0.77 BACE1 (0.60) BACE1BACE2
SCHEMBL14980734 0.76 BACE1 (0.54) BACE1BACE2
SCHEMBL12301398 0.76 BACE1 (0.61) BACE1BACE2
SCHEMBL12301399 0.73 BACE1 (0.57) 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