SCHEMBL3713595

SCHEMBL3713595

COC(=O)/C=C/c1ccc2cc(Br)cc(OC3CCN(C(=O)OCC(C)C)CC3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.39
KIT P10721 1/20 0.34
PIK3CD O00329 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
IKBKB O14920 1/20 0.33
GPR6 P46095 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL3710012 0.88 GPR119 (0.41) GPR119KITPIK3CDHRH3IKBKB
SCHEMBL3717083 0.86 PDE4B (0.43) GPR119
SCHEMBL3713593 0.86 PDE4B (0.43) GPR119
SCHEMBL3710674 0.83 GPR119 (0.43) GPR119PIK3CDHRH3IKBKBTLR9
SCHEMBL3915607 0.83 KIT (0.38) GPR119KIT
SCHEMBL3908051 0.83 KIT (0.38) GPR119KIT
SCHEMBL3715196 0.81 GPR119 (0.38) GPR119PIK3CDIKBKBTLR9TLR8
SCHEMBL3651433 0.79 HRH1 (0.44) GPR119
SCHEMBL3913434 0.74 KIT (0.37) KITHRH3
SCHEMBL3710011 0.73 PDE4B (0.44) GPR119

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
WO-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed