SCHEMBL12445823

SCHEMBL12445823

Cc1nc(C(=O)Nc2cccc(C3(C)CC(=O)NC(N)=N3)c2)c(C(F)(F)F)o1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.53

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
SCHEMBL7943212 0.85 BACE1 (0.59) BACE1
SCHEMBL12445799 0.79 BACE1 (0.69) BACE1
SCHEMBL12445768 0.78 BACE1 (0.53) BACE1
SCHEMBL12446197 0.77 GLA (0.52) BACE1
SCHEMBL12445800 0.76 BACE1 (0.65) BACE1
SCHEMBL12445773 0.75 BACE1 (0.50) BACE1
SCHEMBL12446182 0.75 BACE1 (0.56) BACE1
SCHEMBL12446161 0.75 BACE1 (0.55) BACE1
SCHEMBL12445535 0.75 BACE1 (0.66) BACE1
SCHEMBL12445543 0.74 EGFR (0.53) BACE1

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