SCHEMBL9070993

SCHEMBL9070993

CC(C)Oc1cc(C(=O)Nc2ccn(C)n2)cc(Oc2ccc(C(=O)N3CCN(C)CC3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.68
KCNH2 Q12809 9/20 0.68
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGDS O60760 1/20 0.42
CYP1A2 P05177 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9070949 0.91 GCK (0.66) GCKKCNH2
SCHEMBL2667788 0.90 GCK (0.71) GCKKCNH2
SCHEMBL2667519 0.85 PTGDR (0.56) GCKKCNH2
SCHEMBL9070929 0.85 GCK (0.55) GCKKCNH2
SCHEMBL2667973 0.84 GCK (0.77) GCKKCNH2
SCHEMBL9070905 0.83 GCK (0.64) GCKKCNH2HPGDSCYP1A2ABCB1
SCHEMBL2667779 0.83 GCK (0.54) GCKKCNH2NPC1RAB9AHPGDS
SCHEMBL2667780 0.82 GCK (0.69) GCKKCNH2
SCHEMBL2660156 0.82 GCK (0.89) GCKKCNH2
SCHEMBL9070990 0.82 GCK (0.60) GCKKCNH2NPC1RAB9A

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