SCHEMBL4564153

SCHEMBL4564153

O=C1C=Cc2[nH]ncc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PLK4 O00444 1/20 0.32
DAPK3 O43293 1/20 0.32
PIM1 P11309 1/20 0.32
PDGFRA P16234 1/20 0.32
LTK P29376 1/20 0.32
MAP2K2 P36507 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1A1 P48729 1/20 0.32
TDO2 P48775 1/20 0.32
CDK8 P49336 1/20 0.32
CDK5 Q00535 1/20 0.32
MAP2K1 Q02750 1/20 0.32
MST1R Q04912 1/20 0.32
PTK2 Q05397 1/20 0.32
MAP4K2 Q12851 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL1082770 0.67 GSK3A (0.40) GSK3AGSK3B
Hydrochloric Acid SCHEMBL30533216 0.65 GSK3A (0.39) GSK3AGSK3B
SCHEMBL16059856 0.64
SCHEMBL30319860 0.64 GSK3A (0.42) GSK3AGSK3B
SCHEMBL6903182 0.62 GSK3A (0.40) GSK3AGSK3B
SCHEMBL277815 0.61
SCHEMBL29419946 0.61 GSK3A (0.39) GSK3AGSK3B
SCHEMBL5285232 0.61 GSK3A (0.39) GSK3AGSK3B
SCHEMBL14123799 0.59
SCHEMBL12643298 0.58 CYP2A6 (0.39) GSK3AGSK3BPLK4DAPK3PIM1

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-2137161-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-30 EP disclosed
WO-2008115552-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed