SCHEMBL7701083

SCHEMBL7701083

N#Cc1c(N)n(COCc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.52
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PRKDC P78527 1/20 0.43
EGFR P00533 3/20 0.43
ERBB2 P04626 1/20 0.43
DYRK1A Q13627 1/20 0.41
HSPA8 P11142 1/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ADORA2A P29274 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39

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
SCHEMBL7699564 0.89 DYRK1A (0.51) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8991180 0.87 LRRK2 (0.43) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8991109 0.84 KDM4E (0.59) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7697510 0.82 LRRK2 (0.58) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7698547 0.80 LRRK2 (0.56) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7701687 0.79 LRRK2 (0.54) LRRK2KDM4EPIK3CDDYRK1AHSPA8
SCHEMBL7700288 0.78 KDM4E (0.44) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8990961 0.78 KDM4E (0.44) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL7696326 0.77 LRRK2 (0.44) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8990968 0.76 KDM4E (0.42) KDM4ETSHRMAPK1HTTHSD17B10

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
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed