SCHEMBL3794451

SCHEMBL3794451

CCc1nc2ccc(F)c(F)c2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3OC(C)=O)c1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.32
IGF1R P08069 1/20 0.32
GAA P10253 2/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
FFAR1 O14842 2/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
GRM1 Q13255 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
SCHEMBL1708392 0.99 INSR (0.32) INSRIGF1RGAAALOX15MAPK1
SCHEMBL1708363 0.90 INSR (0.34) INSRIGF1RGAAALOX15FFAR1
SCHEMBL1707879 0.88 MAPT (0.34) INSRIGF1RMAPTRAB9A
SCHEMBL1708122 0.87 MAPT (0.33) INSRIGF1RMAPTRAB9A
SCHEMBL1708250 0.86 ALDH1A1 (0.34) INSRIGF1RGAAFFAR1MAPT
SCHEMBL10011727 0.86 FFAR1 (0.41) FFAR1
SCHEMBL1708241 0.86 NTRK1 (0.38) INSRIGF1RGAAMAPK1MAPT
SCHEMBL1708264 0.86 ALDH1A1 (0.34) INSRIGF1RGAAFFAR1MAPT
SCHEMBL1708105 0.85 NTRK1 (0.38) INSRIGF1RGAAMAPK1MAPT
SCHEMBL1708390 0.85 FFAR1 (0.35) FFAR1

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-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed