SCHEMBL7702669

SCHEMBL7702669

Cc1ccc(Cn2c(Br)c(C#N)c3c(N)ncnc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.57
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LRRK2 Q5S007 10/20 0.47
RPS6KA3 P51812 3/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.38
FYN P06241 1/20 0.38
VCP P55072 1/20 0.38
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37

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
SCHEMBL7695781 0.90 DYRK1A (0.56) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7699589 0.89 DYRK1A (0.55) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7697867 0.88 DYRK1A (0.54) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL8990998 0.88 LRRK2 (0.56) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL8991102 0.88 DYRK1A (0.56) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7701007 0.87 DYRK1A (0.54) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7699827 0.87 DYRK1A (0.54) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7701084 0.86 DYRK1A (0.53) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7702638 0.85 DYRK1A (0.51) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7705445 0.83 DYRK1A (0.49) DYRK1AKDM4EMAPK1TSHRHTT

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 2 patents. 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
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed