SCHEMBL18656782

SCHEMBL18656782

CN(C)Cc1c(Br)c2c(Cl)ncnc2n1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NR2F2 P24468 1/20 0.33
KMT2A Q03164 1/20 0.33
ADK P55263 1/20 0.32
DYRK1A Q13627 1/20 0.32
SRC P12931 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL18656780 0.83 MEN1 (0.35) MEN1NR2F2KMT2AADKDYRK1A
SCHEMBL18341978 0.83 MEN1 (0.35) MEN1NR2F2KMT2AADKDYRK1A
SCHEMBL18656771 0.82 DYRK1A (0.50) DYRK1ASRCLRRK2
SCHEMBL18656761 0.74 MEN1 (0.41) MEN1NR2F2KMT2AADKDYRK1A
SCHEMBL18342002 0.69 LMNA (0.42) SRCLRRK2
SCHEMBL18341927 0.68 RET (0.37) MEN1NR2F2KMT2AADK
SCHEMBL868109 0.67 ADK (0.41) MEN1NR2F2KMT2AADKSRC
SCHEMBL20492598 0.65 ADORA2A (0.40) MEN1NR2F2KMT2AADK
SCHEMBL20493241 0.64 MEN1 (0.50) MEN1NR2F2KMT2A
SCHEMBL18342055 0.64 MEN1 (0.60) MEN1NR2F2KMT2ASRC

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-2017046738-A1 TRIAZOLONE COMPOUNDS AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed