SCHEMBL4554704

SCHEMBL4554704

[CH2]C(CCC)c1c(C)nn(C)c1-n1ccc2cc(Cl)cnc21

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.33

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
SCHEMBL4553074 0.84
SCHEMBL4554753 0.83 HTR2A (0.35)
SCHEMBL963161 0.76 IRAK4 (0.32) IRAK4
SCHEMBL963547 0.73 SMN1; SMN2 (0.41) IRAK4
SCHEMBL4555113 0.70 MEN1 (0.35) IRAK4
SCHEMBL962959 0.70 HPGD (0.32) IRAK4
SCHEMBL967739 0.70 IRAK4 (0.35) IRAK4
SCHEMBL967741 0.70 IRAK4 (0.35) IRAK4
SCHEMBL4553736 0.69 HTR2A (0.34)
SCHEMBL27772808 0.69 FGFR1 (0.40) IRAK4

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