SCHEMBL4639683

SCHEMBL4639683

Cn1c(N)nc(C=Cc2ccccc2Br)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BCHE P06276 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR3 P22607 1/20 0.39
HSD11B1 P28845 1/20 0.36
USP2 O75604 1/20 0.35
RELA Q04206 1/20 0.34

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
SCHEMBL4639823 0.77 BACE1 (0.52) BACE1MEN1KMT2AKDM4E
SCHEMBL4639688 0.77 BACE1 (0.52) BACE1MEN1KMT2AKDM4E
SCHEMBL4133983 0.73 BACE1 (0.55) BACE1KDM4EHSD11B1
SCHEMBL4146188 0.68 BACE1 (0.67) BACE1KDM4E
SCHEMBL4639694 0.67 BACE1 (0.57) BACE1MEN1KMT2ANPC1HSP90AA1
SCHEMBL4640096 0.67 BACE1 (0.57) BACE1MEN1KMT2ANPC1HSP90AA1
SCHEMBL4639697 0.67 BACE1 (0.57) BACE1MEN1KMT2ANPC1HSP90AA1
SCHEMBL1751871 0.66 HSD11B1 (0.62) MEN1KMT2ANPC1HSP90AA1RAB9A
SCHEMBL297691 0.66 HSD11B1 (0.62) MEN1KMT2ANPC1HSP90AA1RAB9A
SCHEMBL31613215 0.66 HSD11B1 (0.62) MEN1KMT2ANPC1HSP90AA1RAB9A

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-1951682-A1 NOVEL 2-AMINOPYRIMIDINONE OR 2-AMINOPYRIDINONE DERIVATIVES AND THEIR USE Astra Zeneca AB (SE) 2008-08-06 EP disclosed
WO-2007058582-A1 NOVEL 2-AMINOPYRIMIDINONE OR 2-AMINOPYRIDINONE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO disclosed