SCHEMBL4658043

SCHEMBL4658043

COc1ccc(C=Cc2cc(N3CCC(N)CC3)nc3sc(C(=O)O)c(N)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.49
CHUK O15111 2/20 0.49
EPHA3 P29320 2/20 0.49
MAPT P10636 1/20 0.42
NTRK1 P04629 1/20 0.41
CDK8 P49336 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
SLC6A3 Q01959 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
GAK O14976 1/20 0.40
ICAM1 P05362 1/20 0.40
DRD2 P14416 1/20 0.40
NFKBIA P25963 1/20 0.40
DRD3 P35462 1/20 0.40
ABAT P80404 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
IRAK3 Q9Y616 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL4658296 0.93 IKBKB (0.58) IKBKBCHUKEPHA3NTRK1CDK8
SCHEMBL4658292 0.93 IKBKB (0.58) IKBKBCHUKEPHA3NTRK1CDK8
SCHEMBL4657014 0.84 IKBKB (0.60) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657018 0.84 IKBKB (0.60) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL6276879 0.84 IKBKB (0.56) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4658251 0.84 IKBKB (0.56) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL6276881 0.84 IKBKB (0.56) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4658255 0.84 IKBKB (0.56) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657865 0.84 IKBKB (0.59) IKBKBCHUKEPHA3NTRK1GAK
SCHEMBL4657859 0.84 IKBKB (0.59) IKBKBCHUKEPHA3NTRK1GAK

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-2008654-A1 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amides Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-12-31 EP disclosed
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 disclosed