SCHEMBL4554378

SCHEMBL4554378

[CH2]Cc1c(C(F)(F)F)nn(C)c1-n1ccc2cc(Cl)cnc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.34
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PABPC1 P11940 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR4 P22455 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
SCHEMBL963384 0.83 IRAK4 (0.33) IRAK4LMNAALDH1A1
SCHEMBL962809 0.80 ADAMTS5 (0.35) IRAK4L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL4554212 0.80 IRAK4 (0.34) IRAK4HPGDHTTHSD17B10
SCHEMBL4570524 0.79 IRAK4 (0.35) IRAK4L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL4570113 0.78 IRAK4 (0.33) IRAK4L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL27772780 0.77 POLB (0.36) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL965261 0.76 ADAMTS5 (0.33) IRAK4MEN1KMT2AHPGDHTT
SCHEMBL965265 0.76 ADAMTS5 (0.33) IRAK4MEN1KMT2AHPGDHTT
SCHEMBL965263 0.75 IRAK4 (0.33) IRAK4
SCHEMBL963027 0.74 IRAK4 (0.33) IRAK4ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed