SCHEMBL12824345

SCHEMBL12824345

CC(=O)Nc1nnc(-c2cc(C(C)(C)C)nn2C)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.45
KDM4E B2RXH2 1/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
MAPK13 O15264 3/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK12 P53778 1/20 0.41
CNR2 P34972 1/20 0.38
RAF1 P04049 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL12746805 0.86 KDM4E (0.42) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL12746844 0.76 CNR2 (0.48) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL7112019 0.76 MAPK14 (0.63) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL10146074 0.75 KDM4E (0.42) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL10147819 0.75 KDM4E (0.42) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL12824743 0.74 CNR2 (0.40) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL12747060 0.74 KDM4E (0.41) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL13618716 0.71 KDM4E (0.40) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL1699062 0.68 MAPK14 (0.61) MAPK14KDM4EGRNSORT1MAPT
SCHEMBL10146096 0.66 KDM4E (0.39) MAPK14KDM4EGRNSORT1MAPT

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
WO-2011037795-A1 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-31 WO disclosed