SCHEMBL5732417

SCHEMBL5732417

Cc1ccc(-c2cc(C(F)(F)F)c3c(N)c(OC(N)=O)sc3n2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 5/20 0.50
FOXM1 Q08050 1/20 0.49
MAPT P10636 5/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 3/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 4/20 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 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL5732791 0.91 FOXM1 (0.51) LIMK1FOXM1MAPTRXFP1KMT2A
SCHEMBL6110428 0.89 KMT2A (0.50) LIMK1FOXM1MAPTRXFP1KMT2A
SCHEMBL5732941 0.87 FOXM1 (0.59) LIMK1FOXM1MAPTRXFP1KMT2A
SCHEMBL5733057 0.87 FOXM1 (0.64) LIMK1FOXM1MAPTRXFP1KMT2A
SCHEMBL5732817 0.87 FOXM1 (0.49) LIMK1FOXM1MAPTRXFP1KMT2A
SCHEMBL5731804 0.86 KMT2A (0.50) LIMK1FOXM1MAPTRXFP1KMT2A
SCHEMBL5732489 0.86 KMT2A (0.50) LIMK1FOXM1MAPTRXFP1KMT2A
SCHEMBL5733417 0.86 KMT2A (0.62) LIMK1FOXM1MAPTRXFP1KMT2A
SCHEMBL5732237 0.86 KMT2A (0.49) LIMK1FOXM1MAPTRXFP1KMT2A
SCHEMBL5732301 0.86 FOXM1 (0.49) LIMK1FOXM1MAPTRXFP1KMT2A

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
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
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