Pyruvate

Pyruvate

SCHEMBL29195420

CC(=O)C(=O)O.COc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3)c2cc1OC

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.61
AXL P30530 9/20 0.61
AURKB Q96GD4 4/20 0.61
MERTK Q12866 3/20 0.61
KDR P35968 3/20 0.61
FLT1 P17948 3/20 0.61
FLT3 P36888 2/20 0.61
AURKA O14965 1/20 0.61
RIPK2 O43353 1/20 0.61
ABCB11 O95342 1/20 0.61
ABL1 P00519 1/20 0.61
EGFR P00533 1/20 0.61
ERBB2 P04626 1/20 0.61
NTRK1 P04629 1/20 0.61
LCK P06239 1/20 0.61
PGR P06401 1/20 0.61
LYN P07948 1/20 0.61
RET P07949 1/20 0.61
CHRM2 P08172 1/20 0.61
HCK P08631 1/20 0.61

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
SCHEMBL372017 0.96 MET (0.66) METAXLAURKBMERTKKDR
SCHEMBL29883010 0.96 MET (0.66) METAXLAURKBMERTKKDR
Glutarate SCHEMBL29195414 0.91 MET (0.58) METAXLAURKBMERTKKDR
SCHEMBL31105630 0.90 MET (0.67) METAXLAURKBMERTKKDR
SCHEMBL28694985 0.90 MET (0.62) METAXLAURKBMERTKKDR
SCHEMBL371952 0.90 AURKB (0.58) METAXLAURKBMERTKKDR
SCHEMBL31105476 0.90 AURKB (0.58) METAXLAURKBMERTKKDR
SCHEMBL22750248 0.89 AXL (0.57) METAXLAURKBMERTKKDR
SCHEMBL21201003 0.89 AXL (0.57) METAXLAURKBMERTKKDR
SCHEMBL29453833 0.89 AXL (0.57) METAXLAURKBMERTKKDR

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-110621662-B Crystalline solid form of salt, preparation process and use method 埃克塞里艾克西斯公司 2023-06-23 CN claimed