SCHEMBL30138985

SCHEMBL30138985

c1ccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 2/20 0.62
AURKB Q96GD4 8/20 0.62
AURKA O14965 4/20 0.62
TTK P33981 1/20 0.55
PTK6 Q13882 5/20 0.55
CHEK1 O14757 3/20 0.45
LCK P06239 4/20 0.44
FLT3 P36888 1/20 0.44
RPS6KA3 P51812 1/20 0.44
EPHB4 P54760 1/20 0.44
CHEK2 O96017 1/20 0.43
ALK Q9UM73 1/20 0.42
SRC P12931 1/20 0.41

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
SCHEMBL14536960 0.90 MAPKAPK5 (0.62) MAPKAPK5AURKBAURKATTKPTK6
SCHEMBL5571621 0.85 MAPKAPK5 (0.62) MAPKAPK5AURKBAURKATTKPTK6
SCHEMBL1674071 0.84 MAPKAPK5 (0.70) MAPKAPK5AURKBAURKAPTK6CHEK1
SCHEMBL8246047 0.84 FYN (0.52) MAPKAPK5AURKBAURKATTKPTK6
SCHEMBL14530402 0.84 MAPKAPK5 (0.58) MAPKAPK5AURKBAURKATTKPTK6
SCHEMBL4399765 0.84 MAPKAPK5 (0.58) MAPKAPK5AURKBAURKATTKPTK6
SCHEMBL15063040 0.83 MAPKAPK5 (0.69) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL14536829 0.82 MAPKAPK5 (0.52) MAPKAPK5AURKBAURKATTKPTK6
SCHEMBL5573273 0.82 MAPKAPK5 (0.64) MAPKAPK5AURKBAURKATTKPTK6
SCHEMBL14536802 0.82 PTK6 (0.54) MAPKAPK5AURKBAURKAPTK6CHEK1

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-115485279-A Antibacterial 8-phenylamino-3- (pyrazol-4-yl) imidazo [1,2-a ] pyrazine derivatives 豪夫迈·罗氏有限公司 2022-12-16 CN disclosed