SCHEMBL7935576

SCHEMBL7935576

CN1C(=O)CC(C)(c2cc(NC(=O)c3cnc(OCC#CCCl)cn3)ccn2)N=C1N

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.67
BACE2 Q9Y5Z0 5/20 0.44
APP P05067 1/20 0.42
CTSD P07339 1/20 0.41

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
SCHEMBL7946576 0.94 BACE1 (0.67) BACE1BACE2APP
SCHEMBL7939452 0.94 BACE1 (0.67) BACE1BACE2APPCTSD
SCHEMBL7943263 0.94 BACE1 (0.67) BACE1BACE2APPCTSD
SCHEMBL7939450 0.94 BACE1 (0.67) BACE1BACE2APPCTSD
SCHEMBL7946581 0.93 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL7945195 0.92 BACE1 (0.65) BACE1BACE2APPCTSD
SCHEMBL7941607 0.91 BACE1 (0.77) BACE1BACE2
SCHEMBL12301695 0.89 BACE1 (0.67) BACE1BACE2
SCHEMBL7941613 0.89 BACE1 (0.64) BACE1BACE2
SCHEMBL7939312 0.87 BACE1 (0.67) 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
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