SCHEMBL9070902

SCHEMBL9070902

CC(C)Oc1cc(C(=O)NC(=N)S)cc(Oc2ccc(C(=O)N3CCN(C)CC3)cn2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.46
GCK P35557 2/20 0.42
GRM5 P41594 1/20 0.41
KCNH2 Q12809 1/20 0.41
LRRK2 Q5S007 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
ATR Q13535 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9070944 0.93 GCK (0.46) HRH3GCK
SCHEMBL9070903 0.93 GCK (0.48) HRH3GCKKCNH2
SCHEMBL2667566 0.90 HRH3 (0.43) HRH3GCKGRM5LRRK2KDM4E
SCHEMBL9071015 0.90 GCK (0.50) HRH3GCKKCNH2
SCHEMBL2667475 0.83 GCK (0.51) HRH3GCK
SCHEMBL2667479 0.82 GCK (0.45) HRH3GCKGRM5KCNH2LRRK2
SCHEMBL9070901 0.82 GCK (0.51) HRH3GCKKCNH2
SCHEMBL2667976 0.82 F10 (0.37) GCK
SCHEMBL2667997 0.81 GCK (0.49) HRH3GCKKCNH2
SCHEMBL2667693 0.81 GCK (0.47) GCKKCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed