SCHEMBL14110679

SCHEMBL14110679

CC(=O)c1sc2nccc(N3CCN(c4ccccc4)CC3)c2c1N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 13/20 0.76
CDK19 Q9BWU1 6/20 0.76
RIOK2 Q9BVS4 2/20 0.58
CSNK1A1 P48729 1/20 0.58
CSNK1D P48730 1/20 0.58
CSNK1E P49674 1/20 0.58
GSK3A P49840 1/20 0.58
HASPIN Q8TF76 1/20 0.58
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
STAT1 P42224 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 3/20 0.45

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
SCHEMBL4658032 0.89 CDK8 (0.93) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL14110794 0.88 CDK8 (0.64) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL14110692 0.87 CDK8 (0.77) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL5233503 0.86 CDK8 (1.00) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL14110671 0.86 CDK8 (0.61) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL14110686 0.85 CDK8 (0.79) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL14110709 0.85 CDK8 (0.57) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL14110776 0.84 CDK8 (0.62) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL14110676 0.84 CDK8 (0.55) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL13979575 0.83 CDK8 (0.55) 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