SCHEMBL2904037

SCHEMBL2904037

CC(C)(C)OC(=O)c1cn(CCCNc2ccc([N+](=O)[O-])c(N)n2)cc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.34
GSK3A P49840 2/20 0.34
EIF4E P06730 1/20 0.33
AXL P30530 2/20 0.32
TXNRD1 Q16881 1/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM1 P11229 1/20 0.32
KDR P35968 3/20 0.32
AURKB Q96GD4 1/20 0.32
KIT P10721 2/20 0.32
FLT3 P36888 2/20 0.32
ABL1 P00519 2/20 0.32
GAA P10253 2/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 1/20 0.32

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
SCHEMBL2910444 0.92 MAPT (0.35) GSK3BGSK3AMEN1MITFKMT2A
SCHEMBL2914083 0.91 MET (0.35) GSK3BGSK3AAXLSMN1; SMN2MERTK
SCHEMBL2909796 0.91 EIF4E (0.39) GSK3BGSK3AEIF4EAXLTXNRD1
SCHEMBL2904943 0.91 GSK3B (0.35) GSK3BGSK3AAXLMEN1KMT2A
SCHEMBL2905411 0.90 GSK3B (0.35) GSK3BGSK3AAXLMERTKCDK1
SCHEMBL2910908 0.90 GSK3B (0.41) GSK3BGSK3AMEN1MITFKMT2A
SCHEMBL2912022 0.88 GSK3B (0.34) GSK3BGSK3AEIF4EAXLMERTK
SCHEMBL2911914 0.88 AHR (0.37) GSK3BGSK3AEIF4EAXLMEN1
SCHEMBL2913577 0.88 AHR (0.37) GSK3BGSK3AEIF4EAXLMEN1
SCHEMBL2906883 0.87 CFTR (0.38) GSK3BGSK3AEIF4EAXLMEN1

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
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed