SCHEMBL17620341

SCHEMBL17620341

Cc1cccnc1-c1ccc2nc(N)c(CCC(=O)NC(C)c3cccnc3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.54
CTSD P07339 2/20 0.54
BRAF P15056 3/20 0.40
PDPK1 O15530 1/20 0.39
PRCP P42785 1/20 0.39

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
SCHEMBL17620340 1.00 BACE1 (0.54) BACE1CTSDBRAFPDPK1PRCP
SCHEMBL17620317 0.89 BACE1 (0.61) BACE1CTSD
SCHEMBL17620318 0.89 BACE1 (0.61) BACE1CTSD
SCHEMBL17620299 0.81 BACE1 (0.50) BACE1CTSD
SCHEMBL17620300 0.81 BACE1 (0.50) BACE1CTSD
SCHEMBL17620310 0.76 BACE1 (0.77) BACE1CTSD
SCHEMBL17620355 0.72 BACE1 (0.74) BACE1CTSD
SCHEMBL17620353 0.72 BACE1 (0.74) BACE1CTSD
SCHEMBL8699 0.71 BACE1 (0.81) BACE1CTSD
SCHEMBL17620335 0.71 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
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US claimed