SCHEMBL29218441

SCHEMBL29218441

CCCNc1ncc(C(=O)OCC)c(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 11/20 0.53
JAK3 P52333 5/20 0.48
JAK1 P23458 3/20 0.48
FLT3 P36888 7/20 0.46
TYRO3 Q06418 7/20 0.46
GAS6 Q14393 7/20 0.46
NR2F2 P24468 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
S1PR2 O95136 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
XBP1 P17861 1/20 0.45
RAB9A P51151 1/20 0.45
PPP1CA P62136 1/20 0.45
KMT2A Q03164 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
SCHEMBL29218442 1.00 MERTK (0.53) MERTKJAK3JAK1FLT3TYRO3
SCHEMBL30892293 1.00 MERTK (0.53) MERTKJAK3JAK1FLT3TYRO3
SCHEMBL29218449 1.00 MERTK (0.53) MERTKJAK3JAK1FLT3TYRO3
SCHEMBL30892304 1.00 MERTK (0.53) MERTKJAK3JAK1FLT3TYRO3
SCHEMBL29218466 0.96 MERTK (0.58) MERTKJAK3JAK1FLT3TYRO3
SCHEMBL29218464 0.96 MERTK (0.58) MERTKJAK3JAK1FLT3TYRO3
SCHEMBL30892291 0.96 MERTK (0.58) MERTKJAK3JAK1FLT3TYRO3
SCHEMBL30892308 0.95 MERTK (0.58) MERTKFLT3TYRO3GAS6NPSR1
SCHEMBL29218476 0.95 MERTK (0.58) MERTKFLT3TYRO3GAS6NPSR1
SCHEMBL29218474 0.95 MERTK (0.58) MERTKFLT3TYRO3GAS6NPSR1

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