SCHEMBL13665448

SCHEMBL13665448

COCc1ccc(Oc2cc(OC)c3[nH]c(CSN)cc3c2)cn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ RUNX1 Q01196 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ PDGFRA P16234 1/20 0.30

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
SCHEMBL12807212 0.83 AXL (0.38) GCKPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL13665682 0.83 GCK (0.33) GCK
SCHEMBL12807184 0.80 GCK (0.34) GCKPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL1076403 0.79 IDO1 (0.39) GCK
SCHEMBL1076607 0.79 IDO1 (0.35) GCKPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL1076900 0.78 HPGD (0.44) GCK
SCHEMBL13665416 0.77 GCK (0.39) GCK
SCHEMBL1677370 0.75 RAB9A (0.48) —
SCHEMBL12807189 0.74 GCK (0.33) GCKPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL13665452 0.74 GCK (0.33) 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-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 — — WO disclosed
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