SCHEMBL5741487

SCHEMBL5741487

CCc1cc(-c2ccc(C)cc2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.45
KDR P35968 1/20 0.45
IKBKB O14920 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LIMK1 P53667 2/20 0.41
RXFP1 Q9HBX9 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK8 P49336 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
TP53 P04637 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL6111260 0.92 IKBKB (0.49) PIM1KDRIKBKBMAPTALDH1A1
SCHEMBL5732572 0.90 CDK8 (0.51) PIM1KDRIKBKBMAPTALDH1A1
SCHEMBL5740848 0.90 MAPT (0.47) PIM1IKBKBMAPTALDH1A1MEN1
SCHEMBL5743134 0.88 ADORA3 (0.41) PIM1KDRIKBKBMAPTMEN1
SCHEMBL5739831 0.88 HSP90AB1 (0.45) IKBKBMAPTALDH1A1MEN1KMT2A
SCHEMBL5742012 0.87 MEN1 (0.54) PIM1KDRIKBKBMAPTALDH1A1
SCHEMBL6110379 0.86 LIMK1 (0.38) PIM1KDRIKBKBMAPTALDH1A1
SCHEMBL6111313 0.84 LIMK1 (0.52) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL6110362 0.83 PIM1 (0.44) PIM1KDRIKBKBMAPTALDH1A1
SCHEMBL5732791 0.82 FOXM1 (0.51) PIM1KDRIKBKBMAPTALDH1A1

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