SCHEMBL6605903

SCHEMBL6605903

Nc1cccc(CN2C(=O)CNC2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.66
GSK3B P49841 1/20 0.66
KMT2A Q03164 2/20 0.52
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TNKS O95271 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
MEN1 O00255 1/20 0.41
BRD4 O60885 1/20 0.40
CLTC Q00610 1/20 0.40
GRM2 Q14416 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 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
SCHEMBL3031538 0.81 GSK3A (0.66) GSK3AGSK3BKMT2ACYP11B1CYP11B2
SCHEMBL5182321 0.81 GSK3A (0.66) GSK3AGSK3BKMT2ATNKSHTR1D
SCHEMBL30361151 0.81 GSK3A (0.66) GSK3AGSK3BKMT2ACYP11B1CYP11B2
SCHEMBL5311390 0.80 GSK3A (0.69) GSK3AGSK3BKMT2ACYP11B1CYP11B2
SCHEMBL6607455 0.80 CA12 (0.47) KMT2ACYP11B1CYP11B2MEN1CLTC
SCHEMBL3318940 0.80 GSK3A (1.00) GSK3AGSK3BKMT2AMEN1GAA
SCHEMBL15651790 0.79 GSK3A (0.62) GSK3AGSK3BKMT2ATNKSHTR1D
SCHEMBL3140635 0.78 GSK3A (0.60) GSK3AGSK3BKMT2ATNKSHTR1D
SCHEMBL8079266 0.75 GSK3A (0.66) GSK3AGSK3BKMT2AHTR1DHTR1B
SCHEMBL20804240 0.75 MGLL (0.60) GSK3AGSK3BCYP11B1CYP11B2CLTC

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-1436269-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003033482-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed