SCHEMBL7698530

SCHEMBL7698530

N#Cc1c(Br)n(Cc2cccc(Cl)c2)c2ncnc(N)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.50
SRC P12931 4/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LRRK2 Q5S007 7/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
RIPK1 Q13546 1/20 0.39
KDR P35968 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
FES P07332 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
SCHEMBL8991102 0.89 DYRK1A (0.56) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL7699589 0.88 DYRK1A (0.55) DYRK1ASRCKDM4ETSHRMAPK1
SCHEMBL7701084 0.87 DYRK1A (0.53) DYRK1ASRCKDM4ETSHRMAPK1
SCHEMBL7702638 0.86 DYRK1A (0.51) DYRK1ASRCKDM4ETSHRMAPK1
SCHEMBL7695781 0.84 DYRK1A (0.56) DYRK1ASRCKDM4ETSHRMAPK1
SCHEMBL7695831 0.83 DYRK1A (0.46) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL7702669 0.82 DYRK1A (0.57) DYRK1ASRCKDM4ETSHRMAPK1
SCHEMBL7697867 0.82 DYRK1A (0.54) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL7701007 0.79 DYRK1A (0.54) DYRK1ASRCKDM4ETSHRMAPK1
SCHEMBL7699827 0.79 DYRK1A (0.54) DYRK1ASRCKDM4ETSHRMAPK1

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