SCHEMBL8991072

SCHEMBL8991072

Cc1cccc(Cn2c(N)c(C#N)c3c(N)ncnc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.51
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DYRK1A Q13627 1/20 0.43
SRC P12931 4/20 0.40
ABL1 P00519 3/20 0.40
RIPK1 Q13546 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CD O00329 1/20 0.40
EGFR P00533 1/20 0.40
HCK P08631 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL7701084 0.89 DYRK1A (0.53) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7701567 0.88 LRRK2 (0.50) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8991276 0.88 MEN1 (0.40) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8990998 0.86 LRRK2 (0.56) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8991109 0.86 KDM4E (0.59) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7697492 0.82 KMT2A (0.52) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7700997 0.81 LRRK2 (0.55) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7696350 0.80 LRRK2 (0.53) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL7695719 0.80 LRRK2 (0.53) LRRK2KDM4ETSHRMAPK1HTT
SCHEMBL8991442 0.79 LRRK2 (0.53) 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