SCHEMBL2669248

SCHEMBL2669248

CNc1nccnc1C(=O)NC(CC1CCCCC1)C(=O)Nc1ccc(C(=O)OC)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 7/20 0.41
▸ USP30 Q70CQ3 4/20 0.40
▸ CTSS P25774 6/20 0.40
▸ CTSL P07711 4/20 0.40
▸ PSMB11 A5LHX3 1/20 0.39
▸ PSMA7 O14818 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMA1 P25786 1/20 0.39
▸ PSMA2 P25787 1/20 0.39
▸ PSMA3 P25788 1/20 0.39
▸ PSMA4 P25789 1/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ PSMB9 P28065 1/20 0.39
▸ PSMA5 P28066 1/20 0.39
▸ PSMB4 P28070 1/20 0.39
▸ PSMB6 P28072 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ LONP1 P36776 1/20 0.39
▸ PSMB10 P40306 1/20 0.39
▸ PSMB3 P49720 1/20 0.39

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
SCHEMBL9072799 0.79 CTSS (0.52) GCKUSP30CTSSCTSK
SCHEMBL2669273 0.76 AAK1 (0.47) GCK
SCHEMBL9072800 0.76 GCK (0.42) GCKUSP30CTSSCTSLCTSK
SCHEMBL12227754 0.75 GCK (0.40) GCKUSP30CTSSPSMB10PSMB2
SCHEMBL9072903 0.74 NPC1 (0.43) GCKUSP30
SCHEMBL2647918 0.71 GCK (0.44) GCKCTSS
SCHEMBL2669063 0.71 CTSL (0.47) GCKUSP30CTSSCTSLPSMB11
SCHEMBL2669306 0.71 F10 (0.46) GCKCTSSCTSLCTSK
SCHEMBL2647945 0.71 KCNH2 (0.44) GCK
SCHEMBL2644961 0.71 FFAR2 (0.50) GCK

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-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 — — WO disclosed
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