SCHEMBL29315949

SCHEMBL29315949

CNc1ncc(C#N)c(NC2COC2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.48
AURKA O14965 1/20 0.38
PRKCQ Q04759 2/20 0.37
PRKCD Q05655 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
SYK P43405 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH1 P35367 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
SCHEMBL30662127 0.80 CSNK1A1 (0.45) LRRK2AURKAIRAK4AXL
SCHEMBL21409882 0.80 CSNK1A1 (0.45) LRRK2AURKAIRAK4AXL
SCHEMBL29315908 0.80 LRRK2 (0.40) LRRK2PRKCQPRKCDIRAK4CYP2C9
SCHEMBL29315748 0.77 LRRK2 (0.39) LRRK2PRKCQPRKCDIRAK4
SCHEMBL29316281 0.77 LRRK2 (0.40) LRRK2PRKCQPRKCDIRAK4AXL
SCHEMBL29315109 0.76 PRKCQ (0.40) LRRK2AURKAPRKCQPRKCD
SCHEMBL29313573 0.74 LRRK2 (0.47) LRRK2PRKCQ
SCHEMBL29313719 0.72 AURKA (0.38) LRRK2AURKASYK
SCHEMBL23262220 0.72 PRKCQ (0.51) LRRK2PRKCQPRKCDAXLTYRO3
SCHEMBL21162418 0.71 LRRK2 (0.50) LRRK2PRKCQPRKCDIRAK4AXL

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