SCHEMBL7701581

SCHEMBL7701581

N#Cc1c(Br)n(CCCc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.55
LRRK2 Q5S007 8/20 0.54
ADORA2A P29274 4/20 0.47
ADORA1 P30542 3/20 0.47
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
HSPA8 P11142 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
ADORA2B P29275 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL7696582 0.93 DYRK1A (0.57) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL7698547 0.88 LRRK2 (0.56) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL8991102 0.86 DYRK1A (0.56) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL7701231 0.82 DYRK1A (0.55) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL7699564 0.81 DYRK1A (0.51) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL7701233 0.81 DYRK1A (0.51) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL7700915 0.78 DYRK1A (0.50) DYRK1ALRRK2ADORA2AADORA1PIK3CD
SCHEMBL7703717 0.77 MEN1 (0.48) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL7699825 0.76 DYRK1A (0.51) DYRK1ALRRK2ADORA2AADORA1KDM4E
SCHEMBL7695781 0.76 DYRK1A (0.56) DYRK1ALRRK2ADORA2AADORA1KDM4E

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
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed