SCHEMBL5742012

SCHEMBL5742012

Cc1ccc(-c2cc(C)c3c(N)c(OC(N)=O)sc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PIM1 P11309 2/20 0.47
KDR P35968 1/20 0.47
IKBKB O14920 5/20 0.46
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LIMK1 P53667 3/20 0.43
CHUK O15111 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
BTK Q06187 1/20 0.43
HTT P42858 2/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL5730706 0.91 MEN1 (0.52) MEN1KMT2AIKBKBKDM4EALDH1A1
SCHEMBL5739770 0.91 MEN1 (0.52) MEN1KMT2APIM1KDRIKBKB
SCHEMBL5739582 0.91 MEN1 (0.52) MEN1KMT2APIM1KDRIKBKB
SCHEMBL5729872 0.90 MEN1 (0.67) MEN1KMT2AIKBKBKDM4EALDH1A1
SCHEMBL5731048 0.90 LIMK1 (0.56) MEN1KMT2APIM1KDRKDM4E
SCHEMBL5740127 0.89 MEN1 (0.50) MEN1KMT2APIM1KDRIKBKB
SCHEMBL5740675 0.89 MEN1 (0.56) MEN1KMT2APIM1KDRIKBKB
SCHEMBL2851062 0.88 PIM1 (0.55) MEN1KMT2APIM1KDRKDM4E
SCHEMBL6111088 0.88 MEN1 (0.49) MEN1KMT2AIKBKBALDH1A1HPGD
SCHEMBL5741487 0.87 PIM1 (0.45) MEN1KMT2APIM1KDRIKBKB

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