SCHEMBL7699564

SCHEMBL7699564

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.51
LRRK2 Q5S007 8/20 0.50
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKDC P78527 1/20 0.42
EGFR P00533 3/20 0.41
ERBB2 P04626 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
HSPA8 P11142 1/20 0.40
ABL1 P00519 2/20 0.38
CDK1 P06493 2/20 0.38
SRC P12931 2/20 0.38

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
SCHEMBL7701083 0.89 LRRK2 (0.52) DYRK1ALRRK2KDM4ETSHRMAPK1
SCHEMBL8991102 0.85 DYRK1A (0.56) DYRK1ALRRK2KDM4ETSHRMAPK1
SCHEMBL7696582 0.83 DYRK1A (0.57) DYRK1ALRRK2KDM4ETSHRMAPK1
SCHEMBL7698534 0.82 DYRK1A (0.60) DYRK1ALRRK2ADORA2AADORA1HSPA8
SCHEMBL7701581 0.81 DYRK1A (0.55) DYRK1ALRRK2KDM4ETSHRMAPK1
SCHEMBL7703241 0.80 DYRK1A (0.56) DYRK1ALRRK2KDM4EPIK3CDHSPA8
SCHEMBL8991180 0.76 LRRK2 (0.43) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7699825 0.76 DYRK1A (0.51) DYRK1ALRRK2KDM4ETSHRMAPK1
SCHEMBL7695781 0.75 DYRK1A (0.56) DYRK1ALRRK2KDM4ETSHRMAPK1
SCHEMBL7696326 0.75 LRRK2 (0.44) LRRK2KDM4ETSHRMAPK1HTT

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