SCHEMBL29316281

SCHEMBL29316281

CCCC[C@@H](CC)Nc1ncc(C#N)c(NC2COC2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.40
PRKCQ Q04759 4/20 0.35
PRKCD Q05655 3/20 0.35
IRAK4 Q9NWZ3 4/20 0.34
PLK1 P53350 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33
AXL P30530 2/20 0.32
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 0.32
FLT3 P36888 1/20 0.32
GAS6 Q14393 1/20 0.32
IDH1 O75874 1/20 0.31
JAK2 O60674 2/20 0.31
JAK3 P52333 2/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL29313990 0.78 CHEK1 (0.40) LRRK2PRKCQPRKCDPLK1AXL
SCHEMBL29315949 0.77 LRRK2 (0.48) LRRK2PRKCQPRKCDIRAK4CYP2C9
SCHEMBL29314115 0.76 CHEK1 (0.36) LRRK2PLK1JAK2JAK3
SCHEMBL23019450 0.74 PLK1 (0.40) LRRK2PLK1IDH1
SCHEMBL29315748 0.74 LRRK2 (0.39) LRRK2PRKCQPRKCDIRAK4
SCHEMBL23019442 0.74 LRRK2 (0.36) LRRK2PRKCQPRKCDIRAK4PLK1
SCHEMBL29315908 0.74 LRRK2 (0.40) LRRK2PRKCQPRKCDIRAK4CYP2C9
SCHEMBL21409882 0.69 CSNK1A1 (0.45) LRRK2IRAK4AXL
SCHEMBL30662127 0.69 CSNK1A1 (0.45) LRRK2IRAK4AXL
SCHEMBL14657063 0.66 LRRK2 (0.50) LRRK2PRKCQPRKCDIRAK4CYP2C9

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
EP-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed