SCHEMBL7720180

SCHEMBL7720180

CN1C(=O)C2(N=C1N)c1cc(-c3cccc(C=N)c3)ccc1CCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.52

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
SCHEMBL429224 0.85 BACE1 (0.66) BACE1
SCHEMBL430394 0.82 BACE1 (0.75) BACE1
SCHEMBL430471 0.82 BACE1 (0.60) BACE1
SCHEMBL7717661 0.82 BACE1 (0.50) BACE1
SCHEMBL430393 0.80 BACE1 (0.60) BACE1
SCHEMBL431057 0.78 BACE1 (0.69) BACE1
SCHEMBL428996 0.77 BACE1 (0.67) BACE1
SCHEMBL431033 0.76 BACE1 (0.66) BACE1
SCHEMBL429255 0.74 BACE1 (0.57) BACE1
SCHEMBL7893443 0.72 BACE1 (0.90) 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-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed