SCHEMBL4554212

SCHEMBL4554212

[CH2]Cc1c(C2CC2)nn(C)c1-n1ccc2cc(Cl)cnc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.34
MCHR1 Q99705 4/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL961700 0.83 IRAK4 (0.33) IRAK4MCHR1
SCHEMBL966734 0.81 IRAK4 (0.35) IRAK4MCHR1HPGDHTTHSD17B10
SCHEMBL4554378 0.80 IRAK4 (0.34) IRAK4HPGDHTTHSD17B10
SCHEMBL5127447 0.79 IRAK4 (0.35) IRAK4
SCHEMBL962375 0.76 IRAK4 (0.32) IRAK4
SCHEMBL962380 0.76 IRAK4 (0.32) IRAK4
SCHEMBL962378 0.75 IRAK4 (0.33) IRAK4
SCHEMBL963693 0.75 IRAK4 (0.32) IRAK4
SCHEMBL962130 0.74 IRAK4 (0.35) IRAK4
SCHEMBL962959 0.69 HPGD (0.32) IRAK4HPGDHTTHSD17B10

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