SCHEMBL4656940

SCHEMBL4656940

CCCc1cc(N2CCCC(N)CC2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.69
CHUK O15111 4/20 0.69
EPHA3 P29320 3/20 0.69
NTRK1 P04629 1/20 0.59
PDGFRA P16234 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
SCHEMBL4659322 0.86 IKBKB (0.93) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4658970 0.86 IKBKB (0.65) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4658317 0.85 IKBKB (0.61) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4657629 0.85 IKBKB (0.75) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4657621 0.85 IKBKB (0.63) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4657125 0.84 IKBKB (0.58) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4657591 0.83 IKBKB (0.62) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4658109 0.83 IKBKB (0.77) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4658236 0.82 IKBKB (0.65) IKBKBCHUKEPHA3NTRK1PDGFRA
SCHEMBL4657117 0.82 IKBKB (1.00) 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