SCHEMBL571111

SCHEMBL571111

NC1=Nc2cccnc2C2(O1)c1cc(Br)ccc1Oc1cnc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.49
CTSD P07339 6/20 0.36

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
SCHEMBL570726 0.85 BACE1 (0.50) BACE1CTSD
SCHEMBL570389 0.83 BACE1 (0.50) BACE1CTSD
SCHEMBL10285421 0.78 BACE1 (0.52) BACE1CTSD
SCHEMBL10285494 0.76 BACE1 (0.52) BACE1CTSD
SCHEMBL570818 0.75 BACE1 (0.48) BACE1CTSD
SCHEMBL570707 0.74 BACE1 (0.48) BACE1CTSD
SCHEMBL2370557 0.71 BACE1 (0.55) BACE1CTSD
SCHEMBL14808465 0.71 BACE1 (0.55) BACE1CTSD
SCHEMBL570823 0.71 BACE1 (0.55) BACE1CTSD
SCHEMBL570775 0.69 BACE1 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601197-A1 AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2013-06-12 EP disclosed
WO-2012019056-A1 AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-02-09 WO disclosed