SCHEMBL4657629

SCHEMBL4657629

CCCc1cc(N2CCCNCC2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.75
CHUK O15111 4/20 0.69
EPHA3 P29320 3/20 0.69
PDGFRA P16234 1/20 0.69
NTRK1 P04629 1/20 0.53

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
SCHEMBL4656920 0.86 IKBKB (1.00) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4657125 0.85 IKBKB (0.58) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4656940 0.85 IKBKB (0.69) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4657043 0.82 IKBKB (1.00) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4658970 0.81 IKBKB (0.65) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4657048 0.80 IKBKB (0.53) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4657621 0.80 IKBKB (0.63) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4657591 0.79 IKBKB (0.62) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4658109 0.79 IKBKB (0.77) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4658317 0.79 IKBKB (0.61) IKBKBCHUKEPHA3PDGFRANTRK1

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-1513516-B1 SUBSTITUTED 3-AMINO-THIENO(2,3-b) PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM PHARMA (US) 2008-12-03 EP claimed