SCHEMBL4446038

SCHEMBL4446038

COCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NC[C]S3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 18/20 0.40
▸ KCNH2 Q12809 4/20 0.33
▸ ABL1 P00519 2/20 0.31

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
SCHEMBL12807204 0.85 GCK (0.37) GCKKCNH2ABL1
SCHEMBL12807221 0.84 GCK (0.37) GCKKCNH2ABL1
SCHEMBL1077325 0.83 GCK (0.38) GCKKCNH2ABL1
SCHEMBL1677219 0.83 GCK (0.39) GCKKCNH2ABL1
SCHEMBL1677335 0.82 GCK (0.39) GCKKCNH2ABL1
SCHEMBL1677365 0.81 GCK (0.39) GCKKCNH2ABL1
SCHEMBL12806848 0.81 GCK (0.40) GCKKCNH2ABL1
SCHEMBL1076029 0.81 GCK (0.38) GCKKCNH2ABL1
SCHEMBL1076656 0.81 GCK (0.38) GCKKCNH2ABL1
SCHEMBL1076539 0.80 GCK (0.42) GCKKCNH2ABL1

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-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 — — WO disclosed
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