SCHEMBL12445673

SCHEMBL12445673

CN1C(=N)CC(C)(c2cc(NC(=O)c3coc(C(F)(F)F)n3)ccn2)N=C1N

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.49
CBLB Q13191 1/20 0.41
BACE2 Q9Y5Z0 3/20 0.38

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
SCHEMBL7944990 0.91 BACE1 (0.50) BACE1CBLBBACE2
SCHEMBL10278480 0.81 BACE1 (0.56) BACE1CBLB
SCHEMBL4078504 0.79 BACE1 (0.61) BACE1
SCHEMBL7933958 0.79 BACE1 (0.54) BACE1BACE2
SCHEMBL7944984 0.79 BACE1 (0.51) BACE1BACE2
SCHEMBL7940446 0.77 BACE1 (0.65) BACE1CBLB
SCHEMBL7945609 0.76 BACE1 (0.67) BACE1BACE2
SCHEMBL7941989 0.75 BACE1 (0.57) BACE1BACE2
SCHEMBL12301420 0.73 BACE1 (0.49) BACE1BACE2
SCHEMBL7943376 0.73 BACE1 (0.53) 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