SCHEMBL7719702

SCHEMBL7719702

C=C1c2ccc(-c3cncnc3)cc2C2(CC1(C)C)N=C(N)N(C)C2=O

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.82
BACE1 P56817 20/20 0.82

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
SCHEMBL431152 0.90 BACE1 (1.00) CTSDBACE1
Trifluoroacetic Acid SCHEMBL450524 0.83 CTSD (0.84) CTSDBACE1
SCHEMBL430349 0.82 BACE1 (1.00) CTSDBACE1
SCHEMBL430487 0.82 BACE1 (1.00) CTSDBACE1
SCHEMBL431157 0.81 CTSD (1.00) CTSDBACE1
SCHEMBL12592225 0.80 CTSD (1.00) CTSDBACE1
SCHEMBL447934 0.78 CTSD (0.76) CTSDBACE1
SCHEMBL430805 0.78 CTSD (0.76) CTSDBACE1
SCHEMBL428986 0.77 BACE1 (0.70) CTSDBACE1
SCHEMBL12592112 0.76 CTSD (0.77) CTSDBACE1

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