SCHEMBL2594853

SCHEMBL2594853

CC(C)n1ncc2c(C(N)=O)cc(-c3cn[nH]c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.42
EZH2 Q15910 13/20 0.40
PARP1 P09874 1/20 0.40
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
EZH1 Q92800 5/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
EED O75530 1/20 0.35
RBBP4 Q09028 1/20 0.35
SUZ12 Q15022 1/20 0.35
RBBP7 Q16576 1/20 0.35
AEBP2 Q6ZN18 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2594243 0.89 KDM4E (0.46) LRRK2EZH2EZH1GSK3BDYRK1A
SCHEMBL2593480 0.87 IRAK4 (0.41) LRRK2EZH2EZH1GSK3BDYRK1A
SCHEMBL2595663 0.75 RIPK1 (0.51) LRRK2EZH2PARP1PIK3CAMTOR
SCHEMBL2594617 0.74 EZH2 (0.44) EZH2PARP1EZH1EEDRBBP4
SCHEMBL2595562 0.71 EZH2 (0.80) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL30350272 0.71 EZH2 (0.63) LRRK2EZH2EZH1EEDRBBP4
SCHEMBL2588507 0.71 MTOR (0.38) LRRK2PIK3CAMTORGSK3BDYRK1A
SCHEMBL2587384 0.70 EZH2 (0.50) EZH2PARP1KDM4E
SCHEMBL14716614 0.70 LRRK2 (0.34) LRRK2PIK3CAMTORGSK3BDYRK1A
SCHEMBL2592086 0.69 ROCK2 (0.40) LRRK2PIK3CAMTORGSK3BDYRK1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP claimed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO claimed