SCHEMBL18656771

SCHEMBL18656771

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.50
LRRK2 Q5S007 10/20 0.48
ADORA2A P29274 6/20 0.42
ADORA1 P30542 6/20 0.42
ADORA2B P29275 5/20 0.42
ADORA3 P0DMS8 1/20 0.37
RIPK2 O43353 1/20 0.35
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 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
SCHEMBL18656782 0.82 MEN1 (0.33) DYRK1ALRRK2SRC
SCHEMBL18656762 0.74 DYRK1A (0.58) DYRK1ALRRK2ADORA2AADORA1ADORA2B
SCHEMBL22677021 0.73 DYRK1A (0.56) DYRK1ALRRK2ADORA2AADORA1ADORA2B
SCHEMBL29407793 0.68 LRRK2 (0.54) DYRK1ALRRK2ADORA2AADORA1ADORA2B
SCHEMBL22658714 0.68 LRRK2 (0.54) DYRK1ALRRK2ADORA2AADORA1ADORA2B
SCHEMBL30582621 0.67 DYRK1A (1.00) DYRK1ALRRK2ADORA2AADORA1ADORA2B
SCHEMBL26110102 0.67 DYRK1A (1.00) DYRK1ALRRK2ADORA2AADORA1ADORA2B
SCHEMBL868932 0.67 FLT3 (0.42) DYRK1ALRRK2ADORA2AADORA1ADORA2B
SCHEMBL18341978 0.65 MEN1 (0.35) DYRK1AADORA2AADORA1ADORA2BADORA3
SCHEMBL18656780 0.65 MEN1 (0.35) DYRK1AADORA2AADORA1ADORA2BEGFR

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