SCHEMBL7019739

SCHEMBL7019739

NC(=O)c1ccc(-c2ccnc(NCCCOc3cccc(-c4ccccc4)c3)n2)cc1.NC(=O)c1ccc(-c2ccnc(NCCCc3nc([N+](=O)[O-])c[nH]3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 6/20 0.47
MAPK8 P45983 4/20 0.47
PIK3CG P48736 3/20 0.47
GSK3B P49841 3/20 0.47
MAPK10 P53779 1/20 0.41
HDAC1 Q13547 3/20 0.40
IKBKB O14920 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
HDAC2 Q92769 1/20 0.35
MET P08581 1/20 0.35
CHEK2 O96017 2/20 0.35
CHEK1 O14757 1/20 0.35
DYRK1A Q13627 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK1B Q9Y463 1/20 0.34
EGFR P00533 1/20 0.34
SYK P43405 1/20 0.34
CLK1 P49759 1/20 0.34

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
SCHEMBL5094646 0.88 MAPK8 (0.42) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5093665 0.85 CAMKK2 (0.62) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5094187 0.81 CAMKK2 (0.48) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5089409 0.80 MAPK8 (0.54) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5989559 0.80 CAMKK2 (0.46) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5089550 0.78 MAPK8 (0.58) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5089098 0.78 PIM1 (0.38) PIK3CGIKBKBPIM1PIM2DYRK1B
SCHEMBL5092372 0.76 CAMKK2 (0.54) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5091989 0.76 MAPK8 (0.59) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5093661 0.75 CAMKK2 (0.49) CAMKK2MAPK8PIK3CGGSK3BMAPK10

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-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed