SCHEMBL12445875

SCHEMBL12445875

CC1=NC(C(=O)Nc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)C(C(F)(F)F)O1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.40

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
SCHEMBL12301420 0.76 BACE1 (0.49) BACE1
SCHEMBL7944645 0.76 BACE1 (0.61) BACE1
SCHEMBL12301738 0.75 NPC1 (0.49)
SCHEMBL7940952 0.75 BACE1 (0.43) BACE1
SCHEMBL7940429 0.75 BACE1 (0.44) BACE1
SCHEMBL7942132 0.74 BACE1 (0.52) BACE1
SCHEMBL7943453 0.74 BACE1 (0.51) BACE1
SCHEMBL7934650 0.74 BACE1 (0.53) BACE1
SCHEMBL7941989 0.74 BACE1 (0.57) BACE1
SCHEMBL7944990 0.74 BACE1 (0.50) 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