SCHEMBL8991102

SCHEMBL8991102

N#Cc1c(Br)n(Cc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 2/20 0.56
TSHR P16473 2/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LRRK2 Q5S007 8/20 0.55
ADORA2A P29274 3/20 0.53
ADORA1 P30542 2/20 0.53
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSPA8 P11142 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR2F2 P24468 1/20 0.42
PIK3CD O00329 1/20 0.41

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
SCHEMBL7698530 0.89 DYRK1A (0.50) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7696582 0.88 DYRK1A (0.57) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7702669 0.88 DYRK1A (0.57) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7697867 0.88 DYRK1A (0.54) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL8991109 0.87 KDM4E (0.59) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7701084 0.86 DYRK1A (0.53) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7701581 0.86 DYRK1A (0.55) DYRK1AKDM4EMAPK1TSHRHTT
SCHEMBL7702638 0.85 DYRK1A (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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