SCHEMBL7941802

SCHEMBL7941802

Cc1cc(C(=O)Nc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)n(C(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.46
FGFR1 P11362 1/20 0.36
BACE2 Q9Y5Z0 3/20 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
SCHEMBL7944748 0.89 BACE1 (0.49) BACE1BACE2
SCHEMBL12301428 0.86 BACE1 (0.46) BACE1BACE2
SCHEMBL7944645 0.82 BACE1 (0.61) BACE1BACE2
SCHEMBL7943277 0.81 BACE1 (0.54) BACE1BACE2
SCHEMBL7945202 0.80 BACE1 (0.53) BACE1BACE2
SCHEMBL7941481 0.80 BACE1 (0.48) BACE1BACE2
SCHEMBL12303325 0.79 BACE1 (0.61) BACE1BACE2
SCHEMBL7935584 0.79 BACE1 (0.46) BACE1
SCHEMBL7934650 0.79 BACE1 (0.53) BACE1BACE2
SCHEMBL7934657 0.79 BACE1 (0.49) 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