SCHEMBL7701007

SCHEMBL7701007

CC(C)(C)c1ccc(Cn2c(Br)c(C#N)c3c(N)ncnc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.54
LRRK2 Q5S007 10/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PI4KB Q9UBF8 2/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ABL1 P00519 2/20 0.37
SRC P12931 2/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
PRKDC P78527 2/20 0.36

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
SCHEMBL8991189 0.89 LRRK2 (0.52) DYRK1ALRRK2MAPK1KDM4ETSHR
SCHEMBL7702669 0.87 DYRK1A (0.57) DYRK1ALRRK2MAPK1KDM4ETSHR
SCHEMBL7695781 0.87 DYRK1A (0.56) DYRK1ALRRK2MAPK1KDM4ETSHR
SCHEMBL7699589 0.86 DYRK1A (0.55) DYRK1ALRRK2MAPK1KDM4ETSHR
SCHEMBL7697867 0.85 DYRK1A (0.54) DYRK1ALRRK2MAPK1KDM4ETSHR
SCHEMBL8991102 0.85 DYRK1A (0.56) DYRK1ALRRK2MAPK1KDM4ETSHR
SCHEMBL7699827 0.84 DYRK1A (0.54) DYRK1ALRRK2MAPK1KDM4ETSHR
SCHEMBL7702638 0.82 DYRK1A (0.51) DYRK1ALRRK2MAPK1KDM4ETSHR
SCHEMBL7705445 0.81 DYRK1A (0.49) DYRK1ALRRK2MAPK1KDM4ETSHR
SCHEMBL7698530 0.79 DYRK1A (0.50) DYRK1ALRRK2MAPK1KDM4ETSHR

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