SCHEMBL6426440

SCHEMBL6426440

CCCc1cc(N2CCC(C)(O)CC2)nc2sc(C(=O)O)c(N)c12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.64
CHUK O15111 4/20 0.63
EPHA3 P29320 3/20 0.63
PDGFRA P16234 1/20 0.63
NTRK1 P04629 1/20 0.62

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
SCHEMBL4658944 0.92 IKBKB (0.76) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4657806 0.84 IKBKB (0.76) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4657725 0.83 IKBKB (0.71) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL6427692 0.80 IKBKB (0.71) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL13980367 0.79 IKBKB (0.82) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4659245 0.79 IKBKB (0.71) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4657138 0.78 IKBKB (1.00) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4658215 0.78 IKBKB (1.00) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4657043 0.78 IKBKB (1.00) IKBKBCHUKEPHA3PDGFRANTRK1
SCHEMBL4656957 0.78 IKBKB (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513516-A1 SUBSTITUTED 3-AMINO-THIENO(2,3-b) PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS ANDPROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-16 EP disclosed
WO-2003103661-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed