SCHEMBL906765

SCHEMBL906765

CC(CF)c1cccc(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL15354786 0.82 IRAK4 (0.49) IRAK4HTR7HTR1ADRD2HTR2A
SCHEMBL1111000 0.81 TAAR1 (0.41) IRAK4HTR7HTR1ADRD2HTR2A
SCHEMBL988633 0.80 S1PR2 (0.39) IRAK4HTR7HTR1ADRD2HTR2A
SCHEMBL30577788 0.79 IRAK4 (0.41) IRAK4HTR7HTR1ADRD2HTR2A
SCHEMBL906775 0.79 IRAK4 (0.41) IRAK4HTR7HTR1ADRD2HTR2A
SCHEMBL3508916 0.78 S1PR2 (0.35) IRAK4HTR7HTR1ADRD2HTR2A
SCHEMBL22834772 0.78 S1PR2 (0.35) IRAK4HTR7HTR1ADRD2HTR2A
SCHEMBL29651896 0.78 S1PR2 (0.35) IRAK4HTR7HTR1ADRD2HTR2A
SCHEMBL18415006 0.78 IRAK4 (0.38) IRAK4HTR7HTR1ADRD2HTR2A
SCHEMBL31691990 0.78 IRAK4 (0.38) IRAK4HTR7HTR1ADRD2HTR2A

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-2276759-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES Eli Lilly & Company (US) 2011-01-26 EP disclosed
WO-2009123855-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES ELI LILLY AND COMPANY (US) 2009-10-08 WO disclosed