SCHEMBL30892291

SCHEMBL30892291

CCCCNc1ncc(C(=O)OCC)c(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 19/20 0.58
TYRO3 Q06418 14/20 0.51
FLT3 P36888 13/20 0.51
GAS6 Q14393 13/20 0.51
AXL P30530 3/20 0.49
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL29218464 1.00 MERTK (0.58) MERTKTYRO3FLT3GAS6AXL
SCHEMBL29218466 1.00 MERTK (0.58) MERTKTYRO3FLT3GAS6AXL
SCHEMBL29218449 0.96 MERTK (0.53) MERTKTYRO3FLT3GAS6AXL
SCHEMBL29218442 0.96 MERTK (0.53) MERTKTYRO3FLT3GAS6AXL
SCHEMBL30892304 0.96 MERTK (0.53) MERTKTYRO3FLT3GAS6AXL
SCHEMBL30892293 0.96 MERTK (0.53) MERTKTYRO3FLT3GAS6AXL
SCHEMBL29218441 0.96 MERTK (0.53) MERTKTYRO3FLT3GAS6AXL
SCHEMBL30892311 0.95 MERTK (0.63) MERTKTYRO3FLT3GAS6AXL
SCHEMBL29218512 0.95 MERTK (0.63) MERTKTYRO3FLT3GAS6AXL
SCHEMBL29218510 0.95 MERTK (0.63) MERTKTYRO3FLT3GAS6AXL

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-117886798-A Substituted benzimidazoles and use thereof 河南中医药大学 2024-04-16 CN disclosed