SCHEMBL8991189

SCHEMBL8991189

CC(C)(C)c1ccc(Cn2c(N)c(C#N)c3c(N)ncnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.52
KDM4E B2RXH2 4/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DYRK1A Q13627 1/20 0.44
PI4KB Q9UBF8 2/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
ALDH1A1 P00352 3/20 0.40
GLA P06280 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ABL1 P00519 2/20 0.38
SRC P12931 2/20 0.38

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
SCHEMBL7701007 0.89 DYRK1A (0.54) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7703709 0.88 LRRK2 (0.49) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8991067 0.88 KDM4E (0.39) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8990998 0.87 LRRK2 (0.56) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7700997 0.87 LRRK2 (0.55) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7696350 0.85 LRRK2 (0.53) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7695719 0.85 LRRK2 (0.53) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7700326 0.84 LRRK2 (0.52) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8991109 0.84 KDM4E (0.59) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8991293 0.84 GLA (0.58) 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-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed