SCHEMBL2667779

SCHEMBL2667779

CC(C)Oc1cc(C(=O)Nc2ccn(C)n2)cc(Oc2ccc(NC(=O)c3ccccc3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.54
KCNH2 Q12809 4/20 0.54
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
PGR P06401 2/20 0.46
KDR P35968 1/20 0.45
HPGDS O60760 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2667543 0.84 GCK (0.51) GCKKCNH2RAB9ANPC1
SCHEMBL9070993 0.83 GCK (0.68) GCKKCNH2RAB9ANPC1HPGDS
SCHEMBL2667388 0.81 GCK (0.57) GCKKCNH2RAB9AMEN1KMT2A
SCHEMBL9070949 0.81 GCK (0.66) GCKKCNH2KMT2A
SCHEMBL2667725 0.81 GCK (0.66) GCK
SCHEMBL2667519 0.81 PTGDR (0.56) GCKKCNH2
SCHEMBL2656936 0.80 NPC1 (0.50) GCKKCNH2RAB9ANPC1HPGDS
SCHEMBL943092 0.80 NPC1 (0.50) GCKKCNH2RAB9ANPC1HPGDS
SCHEMBL2667728 0.79 GCK (0.63) GCKKCNH2MEN1KMT2A
SCHEMBL2667589 0.78 GCK (0.67) GCKKCNH2

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