SCHEMBL14110686

SCHEMBL14110686

CC(=O)c1sc2nccc(N3CCCCC3)c2c1N

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 14/20 0.79
CDK19 Q9BWU1 7/20 0.62
RIOK2 Q9BVS4 2/20 0.57
CSNK1A1 P48729 1/20 0.57
CSNK1D P48730 1/20 0.57
CSNK1E P49674 1/20 0.57
GSK3A P49840 1/20 0.57
HASPIN Q8TF76 1/20 0.57
LIMK1 P53667 1/20 0.48
IKBKB O14920 3/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14110692 0.99 CDK8 (0.77) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL14110794 0.90 CDK8 (0.64) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL14110785 0.89 CDK8 (0.64) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL4656716 0.88 CDK8 (1.00) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL16071213 0.88 CDK8 (0.81) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL5236246 0.88 CDK8 (1.00) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL5234827 0.88 CDK8 (1.00) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL14110671 0.88 CDK8 (0.61) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL4657878 0.87 CDK8 (0.97) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL16071234 0.87 CDK8 (0.79) CDK8CDK19RIOK2CSNK1A1CSNK1D

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
US-7405225-B2 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) 2008-07-29 US disclosed