SCHEMBL7701567

SCHEMBL7701567

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.50
KDM4E B2RXH2 2/20 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
BTK Q06187 1/20 0.44
DYRK1A Q13627 1/20 0.42
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 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 0.88 LRRK2 (0.51) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8991109 0.88 KDM4E (0.59) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7700997 0.85 LRRK2 (0.55) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7697492 0.84 KMT2A (0.52) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7695719 0.81 LRRK2 (0.53) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7696350 0.81 LRRK2 (0.53) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8990998 0.81 LRRK2 (0.56) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7700326 0.81 LRRK2 (0.52) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7699520 0.80 LRRK2 (0.49) LRRK2KDM4EHSD17B10DYRK1ACDK5
SCHEMBL7698547 0.79 LRRK2 (0.56) LRRK2KDM4ETSHRMAPK1HTT

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