SCHEMBL3663113

SCHEMBL3663113

CCCCOC(=O)NC(Cc1cscn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.47
FOLH1 Q04609 1/20 0.45
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
CAPN1 P07384 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ACE P12821 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38

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
SCHEMBL756368 0.83 FOLH1 (0.47) CTSKFOLH1CAPN1ITGA4
SCHEMBL18731295 0.83 FOLH1 (0.47) CTSKFOLH1CAPN1ITGA4
SCHEMBL7300949 0.80 ITGB3 (0.41) MAPK1L3MBTL1ITGB3ITGA2BSMN1; SMN2
SCHEMBL7300962 0.80 ITGB3 (0.41) MAPK1L3MBTL1ITGB3ITGA2BSMN1; SMN2
SCHEMBL478732 0.79 SCN9A (0.53) CTSKFOLH1ITGB3ITGA2BCAPN1
SCHEMBL5717580 0.79 SCN9A (0.53) CTSKFOLH1ITGB3ITGA2BCAPN1
SCHEMBL478735 0.79 SCN9A (0.53) CTSKFOLH1ITGB3ITGA2BCAPN1
SCHEMBL20272602 0.79 CPB2 (0.47) CTSKFOLH1CAPN1
SCHEMBL7473483 0.79 ITGB3 (0.52) CTSKITGB3ITGA2B
SCHEMBL5086307 0.79 HDAC6 (0.49) CTSKITGB3ITGA2BACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234982-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009080523-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 WO disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed