SCHEMBL2565714

SCHEMBL2565714

CN1C(=O)C2(N=C1c1cncc(Cl)c1)c1ccccc1CC(C)(C)C2F

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.44
CTSD P07339 7/20 0.44
BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL428039 0.80 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL430555 0.69 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL12592014 0.66 BACE1 (0.63) BACE1CTSD
SCHEMBL427886 0.61 BACE1 (1.00) BACE1CTSD
SCHEMBL2570745 0.61 BACE1 (0.42) BACE1CTSD
SCHEMBL428008 0.60 BACE1 (0.73) BACE1CTSD
SCHEMBL428996 0.59 BACE1 (0.67) BACE1CTSD
SCHEMBL12592723 0.59 BACE1 (0.65) BACE1CTSD
SCHEMBL429122 0.58 BACE1 (1.00) BACE1CTSD
SCHEMBL430523 0.58 BACE1 (0.78) BACE1CTSD

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-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed