SCHEMBL6554384

SCHEMBL6554384

CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.56
CSNK2A1 P68400 3/20 0.46
NTRK1 P04629 1/20 0.46
AURKA O14965 5/20 0.44
ITK Q08881 2/20 0.44
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
CHEK1 O14757 1/20 0.43
PRKD3 O94806 1/20 0.43
CDK8 P49336 1/20 0.43
LIMK1 P53667 1/20 0.43
ROCK1 Q13464 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
AURKB Q96GD4 3/20 0.43
BRD4 O60885 2/20 0.43
SGK1 O00141 2/20 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
SCHEMBL1460965 0.90 CSNK2A1 (0.45) HAO1CSNK2A1NTRK1AURKAITK
SCHEMBL1460523 0.89 CSNK2A1 (0.58) CSNK2A1NTRK1AURKAPRKAA1ROCK1
SCHEMBL4006567 0.89 CSNK2A1 (0.44) HAO1CSNK2A1NTRK1AURKAITK
SCHEMBL4014003 0.89 NTRK1 (0.58) HAO1CSNK2A1NTRK1ITK
SCHEMBL1460752 0.86 ROCK1 (0.58) CSNK2A1ITKCHEK1PRKD3CDK8
SCHEMBL4013164 0.85 ITK (0.46) CSNK2A1NTRK1AURKAITKCHEK1
SCHEMBL1460787 0.84 MAP2K4 (0.54) AURKAITKAURKB
SCHEMBL1460552 0.84 MAPK1 (0.54) CSNK2A1NTRK1AURKAITKPRKD3
SCHEMBL1459711 0.83 ITK (0.49) AURKAITKCHEK1PRKD3CDK8
Water SCHEMBL4009010 0.83 MAP2K4 (0.53) AURKAITKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 WO disclosed