SCHEMBL7340422

SCHEMBL7340422

COc1ccc2sc(C(N)=O)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 18/20 0.67
DYRK1A Q13627 5/20 0.67
DYRK1B Q9Y463 1/20 0.67
BACE1 P56817 1/20 0.58
CLK2 P49760 4/20 0.55
CLK4 Q9HAZ1 2/20 0.55
CA2 P00918 1/20 0.55

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
SCHEMBL1867721 0.85 CLK1 (0.68) CLK1DYRK1ADYRK1BBACE1CLK2
SCHEMBL13709491 0.84 F9 (0.65) CLK1DYRK1ADYRK1BBACE1CLK2
SCHEMBL19756734 0.84 CLK1 (0.67) CLK1DYRK1ADYRK1BBACE1CLK2
SCHEMBL2138351 0.84 CLK1 (0.67) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL30805959 0.80 CDK8 (0.54) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL10238993 0.80 CLK1 (1.00) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL27352409 0.80 CDK8 (0.54) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL1391285 0.79 CLK1 (0.60) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL9623048 0.79 CLK1 (0.60) CLK1DYRK1ADYRK1BBACE1CLK2
SCHEMBL4745481 0.78 DYRK1A (0.50) CLK1DYRK1ADYRK1BCLK2CLK4

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-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed