SCHEMBL2646592

SCHEMBL2646592

O=C(Nc1nccs1)C(=CC1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.55
MAPK1 P28482 2/20 0.51
PIK3CD O00329 1/20 0.51
PIK3C2B O00750 1/20 0.51
AURKA O14965 1/20 0.51
PIK3C2G O75747 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
CDK2 P24941 1/20 0.51
MAPK3 P27361 1/20 0.51
CCND3 P30281 1/20 0.51
MAPK4 P31152 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
CDK8 P49336 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
PLK1 P53350 1/20 0.51

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
SCHEMBL2646589 1.00 GCK (0.55) GCKMAPK1PIK3CDPIK3C2BAURKA
SCHEMBL2645139 0.87 GCK (0.61) GCKMAPK1MAPTMEN1KMT2A
SCHEMBL2645135 0.87 GCK (0.61) GCKMAPK1MAPTMEN1KMT2A
SCHEMBL2660152 0.86 GCK (0.60) GCKMAPK1MAPTMEN1KMT2A
SCHEMBL2650783 0.86 GCK (0.51) GCKMAPK1PIK3CDPIK3C2BAURKA
SCHEMBL2649877 0.85 GCK (0.50) GCKMAPK1PIK3CDPIK3C2BAURKA
SCHEMBL2650193 0.85 GCK (0.50) GCKMAPK1PIK3CDPIK3C2BAURKA
SCHEMBL27500214 0.84 GCK (0.47) GCKMAPK1PIK3CDPIK3C2BAURKA
SCHEMBL2646142 0.84 GCK (0.55) GCKMAPK1MAPTMEN1KMT2A
SCHEMBL2645691 0.84 GCK (0.54) GCKMAPTMEN1KMT2ATSHR

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-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP claimed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP claimed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US claimed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO claimed
EP-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed