SCHEMBL12445502

SCHEMBL12445502

Cn1nc(Cl)cc1C(=O)Nc1cccc(C2(C)CC(=O)NC(N)=N2)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.53
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL12301419 0.85 BACE1 (0.73) BACE1MEN1KMT2A
SCHEMBL12445836 0.84 BACE1 (0.49) BACE1
SCHEMBL287106 0.80 BACE1 (0.70) BACE1
SCHEMBL12445800 0.79 BACE1 (0.65) BACE1
SCHEMBL12446182 0.78 BACE1 (0.56) BACE1
SCHEMBL12446168 0.77 BACE1 (0.51) BACE1MEN1KMT2A
SCHEMBL12445773 0.76 BACE1 (0.50) BACE1
SCHEMBL297169 0.76 BACE1 (0.48) BACE1
SCHEMBL12446197 0.76 GLA (0.52) BACE1MEN1KMT2A
SCHEMBL12445535 0.76 BACE1 (0.66) 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