SCHEMBL4242653

SCHEMBL4242653

CC(C)C1(N)CCC(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.39
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
BRD4 O60885 7/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
LRRK2 Q5S007 1/20 0.34
HTR6 P50406 3/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
GRM2 Q14416 1/20 0.33
PTPN11 Q06124 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL2754353 0.90 PDPK1 (0.41) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2753753 0.87 PDPK1 (0.43) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL4402761 0.87 PDPK1 (0.43) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2752042 0.86 PDPK1 (0.43) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2752053 0.86 PDPK1 (0.43) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2752909 0.86 PDPK1 (0.39) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2752466 0.85 PDPK1 (0.42) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2753841 0.84 PDPK1 (0.42) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2752105 0.84 PDPK1 (0.43) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL4403723 0.84 PDPK1 (0.43) PDPK1WNT1GSK3BDYRK1ABRD4

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-2109611-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-10-21 EP disclosed
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO disclosed