SCHEMBL1063252

SCHEMBL1063252

COc1cccc(Oc2cnn(C(CC(C)C)C(=O)Nc3ccn(C[C@@H]4COC(C)(C)O4)n3)c(=O)c2)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.33
CACNA1G O43497 2/20 0.32
CACNA1H O95180 2/20 0.32
CACNA1I Q9P0X4 2/20 0.32
TTK P33981 1/20 0.32
MAPK14 Q16539 1/20 0.31
GCK P35557 1/20 0.31

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
SCHEMBL1064925 0.92 CACNA1G (0.33) P2RX3CACNA1GCACNA1HCACNA1IMAPK14
SCHEMBL1066983 0.91 CACNA1G (0.32) P2RX3CACNA1GCACNA1HCACNA1IMAPK14
SCHEMBL1062231 0.89 CASP1 (0.33) CACNA1GCACNA1HCACNA1IMAPK14GCK
SCHEMBL1063173 0.88 CASP1 (0.35) CACNA1GCACNA1HCACNA1I
SCHEMBL1061639 0.87 CACNA1G (0.36) P2RX3CACNA1GCACNA1HCACNA1IMAPK14
SCHEMBL1062681 0.87 CCNK (0.33) CACNA1GCACNA1HCACNA1IGCK
SCHEMBL1062105 0.85 GCK (0.37) MAPK14GCK
SCHEMBL1058066 0.85 GCK (0.37) MAPK14GCK
SCHEMBL4297773 0.83 GCK (0.36) GCK
SCHEMBL4288950 0.83 GCK (0.36) GCK

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-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed