SCHEMBL2650108

SCHEMBL2650108

O=C(Nc1nccs1)/C(=C/C1CCCCC1)c1ccc(C2(C(F)(F)F)N=NN=N2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.45
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
TSHR P16473 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 2/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3C2B O00750 1/20 0.36
AURKA O14965 1/20 0.36
PIK3C2G O75747 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK3 P27361 1/20 0.36

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
SCHEMBL2649877 0.88 GCK (0.50) GCKMEN1KMT2ATSHRHTT
SCHEMBL2650193 0.88 GCK (0.50) GCKMEN1KMT2ATSHRHTT
SCHEMBL2650783 0.87 GCK (0.51) GCKMEN1KMT2ATSHRHTT
SCHEMBL2651265 0.83 CYP3A4 (0.31)
SCHEMBL2646592 0.82 GCK (0.55) GCKMEN1KMT2ATSHRHTT
SCHEMBL2646589 0.82 GCK (0.55) GCKMEN1KMT2ATSHRHTT
SCHEMBL2649853 0.81 GCK (0.32) GCK
SCHEMBL2648958 0.80 GCK (0.48) GCKMEN1KMT2ATSHRHTT
SCHEMBL2650444 0.79 GCK (0.50) GCKMEN1KMT2ATSHRHTT
SCHEMBL2660152 0.78 GCK (0.60) GCKMEN1KMT2ATSHRHTT

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-1311504-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP claimed
WO-2002014312-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO claimed
WO-2006043036-A2 TREATMENT OF DIABETES THE UNIVERSITY OF NEWCASTLE (GB) 2006-04-27 WO disclosed
EP-1311504-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014312-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed