SCHEMBL23071277

SCHEMBL23071277

CC(C)n1nc(CCC(=O)O)c(=O)n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MET P08581 8/20 0.39
AXL P30530 5/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
PTGS2 P35354 1/20 0.38
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
MLYCD O95822 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL14969120 0.79 MET (0.48) POLBMETAXLTYRO3MERTK
SCHEMBL21785519 0.75 MET (0.40) POLBMETAXL
SCHEMBL29814284 0.75 MET (0.47) POLBMETAXLTYRO3MERTK
SCHEMBL24878816 0.74 MET (0.39) POLBMETAXLTYRO3MERTK
SCHEMBL28569207 0.74 MET (0.39) POLBMETAXLTYRO3MERTK
SCHEMBL18186597 0.74 POLB (0.44) POLBMETAXLTYRO3MERTK
SCHEMBL14969155 0.73 NPC1 (0.51) POLBMETAXLTYRO3MERTK
SCHEMBL23071306 0.73 ALDH1A1 (0.40) POLBRXRARXRBRXRGPTGDR2
SCHEMBL21785556 0.72 ALDH1A1 (0.39) POLBMETAXLTYRO3MERTK
SCHEMBL23071006 0.69 PLA2G4A (0.46) POLBRXRARXRBRXRGPTGS2

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-2021043217-A1 COMPOUND HAVING AXL AND C-MET KINASE INHIBITORY ACTIVITY, PREPARATION THEREOF AND APPLICATION THEREOF 中国科学院上海药物研究所 2021-03-11 WO disclosed