SCHEMBL30967322

SCHEMBL30967322

COC[C@H](C)Oc1cccc(C(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.63
KCNH2 Q12809 3/20 0.63
RARA P10276 1/20 0.56
RARB P10826 1/20 0.56
ABL1 P00519 2/20 0.52

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
SCHEMBL1427153 0.86 GCK (0.65) GCKKCNH2RARARARB
SCHEMBL2660380 0.86 GCK (0.65) GCKKCNH2RARARARB
SCHEMBL1493779 0.84 GCK (0.66) GCKKCNH2RARARARB
SCHEMBL1426977 0.84 GCK (0.66) GCKKCNH2RARARARB
SCHEMBL30960493 0.79 GCK (0.50) GCKKCNH2RARARARBABL1
SCHEMBL1427017 0.76 GCK (1.00) GCKKCNH2RARARARB
SCHEMBL1427220 0.76 GCK (1.00) GCKKCNH2
SCHEMBL1426683 0.76 GCK (1.00) GCKKCNH2
SCHEMBL10072047 0.76 GCK (0.76) GCKKCNH2RARARARB
SCHEMBL1042208 0.75 GCK (0.53) GCKKCNH2RARARARB

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
CN-118265703-A Therapeutic co-crystals of 3- { [5- (azetidin-1-ylcarbonyl) pyrazin-2-yl ] oxy } -5- { [ (1S) -1-methyl-2- (methoxy) ethyl ] oxy) -N- (5-methylpyrazin-2-yl) benzamide 康杜英国管理有限公司 2024-06-28 CN disclosed