SCHEMBL1708392

SCHEMBL1708392

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.32
IGF1R P08069 1/20 0.32
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
SIRT2 Q8IXJ6 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
SCHEMBL3794451 0.99 INSR (0.32) INSRIGF1RGAAALOX15MAPK1
SCHEMBL1708363 0.89 INSR (0.34) INSRIGF1RGAAALOX15
SCHEMBL1708122 0.88 MAPT (0.33) INSRIGF1R
SCHEMBL1707879 0.87 MAPT (0.34) INSRIGF1R
SCHEMBL1708264 0.86 ALDH1A1 (0.34) INSRIGF1RGAA
SCHEMBL1708105 0.86 NTRK1 (0.38) INSRIGF1RGAAMAPK1
SCHEMBL10011727 0.86 FFAR1 (0.41)
SCHEMBL1708250 0.86 ALDH1A1 (0.34) INSRIGF1RGAA
SCHEMBL1708241 0.85 NTRK1 (0.38) INSRIGF1RGAAMAPK1
SCHEMBL1708390 0.84 FFAR1 (0.35)

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
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed