SCHEMBL7709326

SCHEMBL7709326

CN1C(=O)C2(N=C1N)c1ccccc1Oc1cc(F)c(-c3cncnc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.57
BACE2 Q9Y5Z0 10/20 0.50
CTSD P07339 9/20 0.50
REN P00797 1/20 0.50

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
SCHEMBL7711759 0.91 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL7708619 0.89 BACE1 (0.53) BACE1BACE2CTSD
SCHEMBL2576376 0.87 BACE1 (0.56) BACE1BACE2CTSDREN
SCHEMBL7713041 0.82 BACE1 (0.57) BACE1BACE2CTSDREN
SCHEMBL2572362 0.82 BACE1 (0.52) BACE1BACE2REN
SCHEMBL2571922 0.79 BACE1 (0.84) BACE1BACE2CTSD
SCHEMBL7711254 0.78 BACE1 (0.75) BACE1BACE2CTSD
SCHEMBL2574316 0.78 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL7708483 0.76 BACE1 (0.65) BACE1CTSD
SCHEMBL2572115 0.75 BACE1 (0.73) BACE1BACE2CTSD

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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed