SCHEMBL7700915

SCHEMBL7700915

N#Cc1c(Br)n(CCc2ccc([N+](=O)[O-])cc2)c2ncnc(N)c12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.50
KCNJ1 P48048 3/20 0.42
KCNH2 Q12809 3/20 0.42
LRRK2 Q5S007 7/20 0.41
ABCC1 P33527 1/20 0.41
SLC29A1 Q99808 2/20 0.40
XDH P47989 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
CYP19A1 P11511 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 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
SCHEMBL7705445 0.90 DYRK1A (0.49) DYRK1ALRRK2SLC29A1XDHKMT2A
SCHEMBL7701231 0.84 DYRK1A (0.55) DYRK1ALRRK2ADORA2AADORA1
SCHEMBL7696582 0.84 DYRK1A (0.57) DYRK1ALRRK2ADORA2AADORA1KMT2A
SCHEMBL7695942 0.81 MEN1 (0.50) DYRK1ALRRK2SLC29A1XDHKMT2A
SCHEMBL7695831 0.80 DYRK1A (0.46) DYRK1ALRRK2ADORA2AADORA1KMT2A
SCHEMBL7701581 0.78 DYRK1A (0.55) DYRK1ALRRK2ADORA2AADORA1KMT2A
SCHEMBL7701233 0.76 DYRK1A (0.51) DYRK1ALRRK2ADORA2AADORA1
SCHEMBL7695781 0.74 DYRK1A (0.56) DYRK1ALRRK2ADORA2AADORA1PIK3CD
SCHEMBL7699589 0.74 DYRK1A (0.55) DYRK1ALRRK2ADORA2AADORA1KMT2A
SCHEMBL7702669 0.73 DYRK1A (0.57) DYRK1ALRRK2ADORA2AADORA1PIK3CD

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