SCHEMBL3837023

SCHEMBL3837023

CN(C)Cc1cc(-c2cc3cc(CN4CCCCC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1OS(=O)(=O)C(F)(F)F)CNC2=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL3835677 0.93 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL3835072 0.87 NR1H2 (0.34) NR1H2IDO1TDO2IDO2NR1H3
SCHEMBL3039577 0.87 NR1H2 (0.34) NR1H2IDO1TDO2IDO2NR1H3
SCHEMBL3048091 0.86 NR1H2 (0.33) NR1H2IDO1TDO2IDO2NR1H3
SCHEMBL3034067 0.84 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL3043957 0.83 NR1H2 (0.33) NR1H2IDO1TDO2IDO2NR1H3
SCHEMBL5049617 0.81 POLB (0.34) NR1H2
SCHEMBL3048293 0.81 NR1H2 (0.33) NR1H2IDO1TDO2IDO2NR1H3
SCHEMBL3044390 0.81 POLB (0.39) NR1H2
SCHEMBL3839027 0.81 PARP1 (0.37) NR1H2NR1H3

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-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed