SCHEMBL5732237

SCHEMBL5732237

CCc1ccc(-c2cc(C(F)(F)F)c3c(N)c(OC(N)=O)sc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
FOXM1 Q08050 1/20 0.49
MAPT P10636 6/20 0.48
LIMK1 P53667 4/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
CASP7 P55210 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL5733018 0.92 KMT2A (0.48) KMT2AMEN1FOXM1MAPTLIMK1
SCHEMBL5732791 0.89 FOXM1 (0.51) KMT2AMEN1FOXM1MAPTLIMK1
SCHEMBL5732596 0.88 KMT2A (0.52) KMT2AMEN1FOXM1MAPTLIMK1
SCHEMBL5732941 0.87 FOXM1 (0.59) KMT2AMEN1FOXM1MAPTLIMK1
SCHEMBL5733057 0.87 FOXM1 (0.64) KMT2AMEN1FOXM1MAPTLIMK1
SCHEMBL5732817 0.87 FOXM1 (0.49) KMT2AMEN1FOXM1MAPTLIMK1
SCHEMBL5731804 0.86 KMT2A (0.50) KMT2AMEN1FOXM1MAPTLIMK1
SCHEMBL6110428 0.86 KMT2A (0.50) KMT2AMEN1FOXM1MAPTLIMK1
SCHEMBL5732489 0.86 KMT2A (0.50) KMT2AMEN1FOXM1MAPTLIMK1
SCHEMBL5733417 0.86 KMT2A (0.62) KMT2AMEN1FOXM1MAPTLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1683799-A1 3-Amino-6-aryl(or 6-heteroaryl)-4-R²-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) 2006-07-26 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 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
EP-1683799-A1 3-Amino-6-aryl(or 6-heteroaryl)-4-R²-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) 2006-07-26 EP disclosed
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