SCHEMBL7943459

SCHEMBL7943459

CN1C(=O)CC(C)(c2cc(NC(=O)C3CC=C(Br)S3)ccn2)N=C1N

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.42
CTSD P07339 1/20 0.34

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
SCHEMBL7944754 0.79 BACE1 (0.51) BACE1
SCHEMBL12301731 0.78 BACE1 (0.48) BACE1
SCHEMBL12301705 0.77 BACE1 (0.60) BACE1CTSD
SCHEMBL7943456 0.77 BACE1 (0.49) BACE1
SCHEMBL7944645 0.77 BACE1 (0.61) BACE1
SCHEMBL7945205 0.76 BACE1 (0.61) BACE1
SCHEMBL12445513 0.76 BACE1 (0.58) BACE1CTSD
SCHEMBL7934657 0.75 BACE1 (0.49) BACE1CTSD
SCHEMBL7946585 0.75 BACE1 (0.50) BACE1
SCHEMBL12303332 0.75 BACE1 (0.59) 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
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO disclosed