SCHEMBL5731048

SCHEMBL5731048

COc1ccc(-c2cc(C)c3c(N)c(OC(N)=O)sc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.56
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
CHRM4 P08173 3/20 0.52
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
PIM1 P11309 3/20 0.48
FLT1 P17948 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CDK8 P49336 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MCL1 Q07820 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.46
PTK2B Q14289 1/20 0.46
FOXM1 Q08050 1/20 0.46

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 0.90 MEN1 (0.54) LIMK1MEN1KMT2ACHRM4NPC1
SCHEMBL2851062 0.89 PIM1 (0.55) LIMK1MEN1KMT2ANPC1POLB
SCHEMBL5739582 0.87 MEN1 (0.52) LIMK1MEN1KMT2ACHRM4NPC1
SCHEMBL5730706 0.87 MEN1 (0.52) LIMK1MEN1KMT2ACHRM4NPC1
SCHEMBL5739770 0.87 MEN1 (0.52) LIMK1MEN1KMT2ACHRM4POLB
SCHEMBL5729872 0.87 MEN1 (0.67) LIMK1MEN1KMT2ACHRM4NPC1
SCHEMBL5740127 0.85 MEN1 (0.50) LIMK1MEN1KMT2ACHRM4PIM1
SCHEMBL5733057 0.85 FOXM1 (0.64) LIMK1MEN1KMT2APOLBPIM1
SCHEMBL6111088 0.84 MEN1 (0.49) LIMK1MEN1KMT2ANPC1MAPT
SCHEMBL5740222 0.84 MEN1 (0.48) LIMK1MEN1KMT2ACHRM4PIM1

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 5 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
EP-1619197-A1 Substituted Pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2,4(1H,3H)diones and -4(3H)ones as well as Pyrido[3',2':4,5]furo[3,2-d]-pyrimidin-2,4(1H,3H)diones und -4(3H)ones as inhibitors of TNF-alpha release Curacyte Discovery GmbH (DE) 2006-01-25 EP disclosed