SCHEMBL5739770

SCHEMBL5739770

Cc1cc(-c2ccc(Cl)cc2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LIMK1 P53667 3/20 0.47
IKBKB O14920 3/20 0.47
CHRM4 P08173 2/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 1/20 0.43
CHUK O15111 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
BTK Q06187 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
EEF2K O00418 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
SCHEMBL5742012 0.91 MEN1 (0.54) MEN1KMT2AMAPTLIMK1IKBKB
SCHEMBL5730706 0.88 MEN1 (0.52) MEN1KMT2AMAPTLIMK1IKBKB
SCHEMBL5739582 0.88 MEN1 (0.52) MEN1KMT2AMAPTTDP1LIMK1
SCHEMBL5729872 0.88 MEN1 (0.67) MEN1KMT2AMAPTTDP1LIMK1
SCHEMBL5731048 0.87 LIMK1 (0.56) MEN1KMT2AMAPTTDP1LIMK1
SCHEMBL5740848 0.86 MAPT (0.47) MEN1KMT2AMAPTTDP1LIMK1
SCHEMBL5740127 0.86 MEN1 (0.50) MEN1KMT2AMAPTLIMK1IKBKB
SCHEMBL6111088 0.85 MEN1 (0.49) MEN1KMT2AMAPTLIMK1IKBKB
SCHEMBL2851062 0.85 PIM1 (0.55) MEN1KMT2AMAPTLIMK1KDM4E
SCHEMBL5740222 0.84 MEN1 (0.48) MEN1KMT2AMAPTTDP1LIMK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006074919-A2 3-AMINO-6-ARYL(OR 6-HETEROARYL)-THIENO[2,3-B]PYRIDIN-2-CARBOXAMIDES, PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AND THEIR USE AS TNFα INHIBITORS CURACYTE DISCOVERY GMBH (DE) 2006-07-20 WO 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 claimed
WO-2006074919-A2 3-AMINO-6-ARYL(OR 6-HETEROARYL)-THIENO[2,3-B]PYRIDIN-2-CARBOXAMIDES, PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AND THEIR USE AS TNFα INHIBITORS CURACYTE DISCOVERY GMBH (DE) 2006-07-20 WO disclosed
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