SCHEMBL2668030

SCHEMBL2668030

COCC(C)Oc1cc(Oc2ccccc2N)cc(-c2nc3cccnc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.41
DHFR P00374 2/20 0.37
DCPS Q96C86 2/20 0.37
IKBKB O14920 3/20 0.35
MCHR1 Q99705 1/20 0.34
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL2086086 0.87 GCK (0.39) GCKRARARARB
SCHEMBL2087030 0.84 GCK (0.46) GCKRARARARB
SCHEMBL2086747 0.82 PRMT5 (0.41) GCKRARARARB
SCHEMBL2668031 0.82 GCK (0.37) GCKDHFRDCPSRARARARB
SCHEMBL2087531 0.82 GCK (0.41) GCKDHFRDCPSRARARARB
SCHEMBL2668060 0.81 GCK (0.42) GCKKCNH2
SCHEMBL2086632 0.81 GCK (0.42) GCKKCNH2
SCHEMBL2086592 0.81 GCK (0.42) GCKKCNH2
SCHEMBL708895 0.80 GCK (0.52) GCKKCNH2
SCHEMBL2086661 0.80 GCK (0.51) GCKRARARARBKCNH2

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-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO disclosed