SCHEMBL5740222

SCHEMBL5740222

Cc1cc(-c2ccc([S+](C)[O-])cc2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LIMK1 P53667 2/20 0.39
IKBKB O14920 5/20 0.39
CHUK O15111 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
BTK Q06187 1/20 0.39
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
PIM1 P11309 2/20 0.37
KDR P35968 1/20 0.37
MAPT P10636 5/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL6110379 0.88 LIMK1 (0.38) MEN1KMT2ALIMK1IKBKBKDM4E
SCHEMBL5742012 0.87 MEN1 (0.54) MEN1KMT2ALIMK1IKBKBCHUK
SCHEMBL5731764 0.86 FOXM1 (0.47) MEN1KMT2ALIMK1KDM4EALDH1A1
SCHEMBL5739770 0.84 MEN1 (0.52) MEN1KMT2ALIMK1IKBKBCHUK
SCHEMBL5739582 0.84 MEN1 (0.52) MEN1KMT2ALIMK1IKBKBCHUK
SCHEMBL5730706 0.84 MEN1 (0.52) MEN1KMT2ALIMK1IKBKBCHUK
SCHEMBL5729872 0.84 MEN1 (0.67) MEN1KMT2ALIMK1IKBKBCHUK
SCHEMBL5731048 0.84 LIMK1 (0.56) MEN1KMT2ALIMK1KDM4EALDH1A1
SCHEMBL5740127 0.83 MEN1 (0.50) MEN1KMT2ALIMK1IKBKBCHUK
SCHEMBL2851062 0.82 PIM1 (0.55) MEN1KMT2ALIMK1KDM4EPIM1

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-1681292-A1 3-Amino-6-aryl(or 6-heteroaryl)-thieno¬2,3-b|pyridin-2-carboxylic acid amides, pharmaceutical compositions comprising the said and their use as inhibitors of TNFalpha release IBFB Pharma GmbH (DE) 2006-07-19 EP claimed
EP-1681292-A1 3-Amino-6-aryl(or 6-heteroaryl)-thieno¬2,3-b|pyridin-2-carboxylic acid amides, pharmaceutical compositions comprising the said and their use as inhibitors of TNFalpha release IBFB Pharma GmbH (DE) 2006-07-19 EP disclosed