SCHEMBL5740848

SCHEMBL5740848

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
LIMK1 P53667 2/20 0.43
IKBKB O14920 1/20 0.43
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CTRC Q99895 1/20 0.38
GAA P10253 1/20 0.38
CHRM4 P08173 1/20 0.38
BRAF P15056 1/20 0.38
PTGS2 P35354 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
PIM1 P11309 1/20 0.37
TSHR P16473 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
SCHEMBL5741487 0.90 PIM1 (0.45) MAPTMEN1KMT2ALIMK1IKBKB
SCHEMBL5739831 0.87 HSP90AB1 (0.45) MAPTMEN1KMT2ALIMK1IKBKB
SCHEMBL5743134 0.87 ADORA3 (0.41) MAPTMEN1KMT2ATDP1LIMK1
SCHEMBL5739770 0.86 MEN1 (0.52) MAPTMEN1KMT2ATDP1LIMK1
SCHEMBL6110379 0.85 LIMK1 (0.38) MAPTMEN1KMT2ATDP1LIMK1
SCHEMBL6111313 0.83 LIMK1 (0.52) MAPTMEN1KMT2ALIMK1ALDH1A1
SCHEMBL6111260 0.83 IKBKB (0.49) MAPTMEN1KMT2ALIMK1IKBKB
SCHEMBL5732489 0.81 KMT2A (0.50) MAPTMEN1KMT2ATDP1LIMK1
SCHEMBL6111578 0.81 MAPT (0.47) MAPTMEN1KMT2ATDP1LIMK1
SCHEMBL5732572 0.81 CDK8 (0.51) MAPTMEN1KMT2ALIMK1IKBKB

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 3 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
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