SCHEMBL7701084

SCHEMBL7701084

Cc1cccc(Cn2c(Br)c(C#N)c3c(N)ncnc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.53
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LRRK2 Q5S007 8/20 0.47
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
RIPK1 Q13546 1/20 0.39
SRC P12931 4/20 0.39
ABL1 P00519 3/20 0.39
PIK3CD O00329 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL8991072 0.89 LRRK2 (0.51) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL7698530 0.87 DYRK1A (0.50) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL7702669 0.86 DYRK1A (0.57) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL8991102 0.86 DYRK1A (0.56) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL7695831 0.83 DYRK1A (0.46) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL7695781 0.82 DYRK1A (0.56) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL7702638 0.81 DYRK1A (0.51) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL7695720 0.81 DYRK1A (0.56) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL7699589 0.81 DYRK1A (0.55) DYRK1AKDM4ETSHRMAPK1HTT
SCHEMBL7697867 0.80 DYRK1A (0.54) DYRK1AKDM4ETSHRMAPK1HTT

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