SCHEMBL4659352

SCHEMBL4659352

CCCc1cc(N2CCC(NCC(O)c3ccccc3)CC2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.55
CHUK O15111 4/20 0.51
EPHA3 P29320 3/20 0.51
NTRK1 P04629 1/20 0.51
PDGFRA P16234 1/20 0.46

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
SCHEMBL4658259 1.00 IKBKB (0.55) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4659339 1.00 IKBKB (0.55) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4657958 0.95 IKBKB (0.56) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4659303 0.93 IKBKB (0.55) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4718931 0.93 IKBKB (0.53) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4656985 0.93 IKBKB (0.53) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4656577 0.93 IKBKB (0.54) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4658044 0.93 IKBKB (0.56) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4657940 0.92 IKBKB (0.54) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4656431 0.92 IKBKB (0.55) IKBKBCHUKEPHA3NTRK1PDGFRA

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