SCHEMBL8991442

SCHEMBL8991442

Cc1ccccc1Cn1c(N)c(C#N)c2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.53
DYRK1A Q13627 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
PI4KA P42356 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
SCHEMBL7695720 0.89 DYRK1A (0.56) LRRK2DYRK1AKDM4EALDH1A1LMNA
SCHEMBL8991348 0.87 ALDH1A1 (0.44) LRRK2DYRK1AKDM4EALDH1A1LMNA
SCHEMBL8991109 0.83 KDM4E (0.59) LRRK2DYRK1AKDM4EALDH1A1MAPK1
SCHEMBL8990998 0.81 LRRK2 (0.56) LRRK2DYRK1AKDM4EALDH1A1MAPK1
SCHEMBL8991072 0.79 LRRK2 (0.51) LRRK2DYRK1AKDM4EALDH1A1MAPK1
SCHEMBL8991123 0.78 KDM4E (0.44) KDM4EMAPK1HSD17B10TSHRHTT
SCHEMBL8991480 0.78 KDM4E (0.44) KDM4EMAPK1HSD17B10TSHRHTT
SCHEMBL7700997 0.78 LRRK2 (0.55) LRRK2DYRK1AKDM4EALDH1A1MAPK1
SCHEMBL7695719 0.77 LRRK2 (0.53) LRRK2DYRK1AKDM4EALDH1A1MAPK1
SCHEMBL7696350 0.77 LRRK2 (0.53) LRRK2DYRK1AKDM4EALDH1A1MAPK1

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