SCHEMBL28286294

SCHEMBL28286294

Clc1cccc(Cl)c1-c1cnc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.54
PDGFRA P16234 4/20 0.54
BIRC5 O15392 1/20 0.54
CYP2A6 P11509 1/20 0.51
PIK3CD O00329 2/20 0.49
PIK3CA P42336 2/20 0.49
MAP4K4 O95819 1/20 0.48
CSNK1G2 P78368 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
CYP1A2 P05177 1/20 0.47
NISCH Q9Y2I1 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2846087 0.89 BIRC5 (0.55) PDGFRBPDGFRABIRC5CYP2A6PIK3CD
SCHEMBL2772360 0.80 PDGFRB (0.77) PDGFRBPDGFRABIRC5CYP2A6PIK3CD
SCHEMBL32667946 0.80 PDGFRB (0.77) PDGFRBPDGFRABIRC5CYP2A6PIK3CD
SCHEMBL27191399 0.80 PDGFRB (0.61) PDGFRBPDGFRABIRC5CYP2A6PIK3CD
SCHEMBL16655947 0.79 BIRC5 (0.51) PDGFRBPDGFRABIRC5CYP2A6PIK3CD
SCHEMBL2195152 0.79 CYP1A2 (0.61) PDGFRBPDGFRABIRC5CYP2A6PIK3CD
SCHEMBL30323720 0.77 BIRC5 (0.77) PDGFRBPDGFRABIRC5CYP2A6PIK3CD
SCHEMBL27631118 0.77 BIRC5 (0.77) PDGFRBPDGFRABIRC5CYP2A6PIK3CD
SCHEMBL29060493 0.76 PDGFRB (0.66) PDGFRBPDGFRABIRC5CYP2A6PIK3CD
SCHEMBL29375315 0.76 PDGFRB (0.66) PDGFRBPDGFRABIRC5CYP2A6PIK3CD

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
CN-104045599-B The preparation method of 2- amino-3-aryl quinoline 江西师范大学 2019-03-26 CN disclosed