SCHEMBL7705445

SCHEMBL7705445

N#Cc1c(Br)n(Cc2ccc([N+](=O)[O-])cc2)c2ncnc(N)c12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC29A1 Q99808 8/20 0.41
LRRK2 Q5S007 4/20 0.40
XDH P47989 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PRKDC P78527 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
SCHEMBL7700915 0.90 DYRK1A (0.50) DYRK1AKMT2ASLC29A1LRRK2XDH
SCHEMBL7695942 0.89 MEN1 (0.50) DYRK1AMEN1KMT2ASLC29A1LRRK2
SCHEMBL7695831 0.88 DYRK1A (0.46) DYRK1AMEN1KMT2ALRRK2L3MBTL1
SCHEMBL7695781 0.85 DYRK1A (0.56) DYRK1ALRRK2KDM4ETSHRMAPK1
SCHEMBL7702669 0.83 DYRK1A (0.57) DYRK1ALRRK2KDM4ETSHRMAPK1
SCHEMBL7697867 0.83 DYRK1A (0.54) DYRK1ALRRK2KDM4ETSHRMAPK1
SCHEMBL7699827 0.81 DYRK1A (0.54) DYRK1AKMT2ALRRK2KDM4ETSHR
SCHEMBL7702638 0.81 DYRK1A (0.51) DYRK1AKMT2ALRRK2KDM4ETSHR
SCHEMBL7701007 0.81 DYRK1A (0.54) DYRK1AMEN1KMT2ALRRK2KDM4E
SCHEMBL7698530 0.77 DYRK1A (0.50) DYRK1ALRRK2KDM4ETSHRMAPK1

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