SCHEMBL29313573

SCHEMBL29313573

CNc1ncc(C#N)c(NCC2CCOC2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.47
PRKCQ Q04759 5/20 0.44
IRAK1 P51617 1/20 0.39
VNN1 O95497 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
TTK P33981 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL29313569 0.80 TNK2 (0.48) JAK2CHEK1
SCHEMBL29314449 0.74 CHEK1 (0.49) LRRK2PRKCQCHEK1
SCHEMBL29315949 0.74 LRRK2 (0.48) LRRK2PRKCQ
SCHEMBL29313579 0.74 KAT2B (0.42) LRRK2PRKCQ
SCHEMBL29313773 0.71 CCNA2 (0.46) LRRK2PRKCQ
SCHEMBL29313719 0.69 AURKA (0.38) LRRK2
SCHEMBL29313606 0.69 PTK2 (0.40) LRRK2PRKCQ
SCHEMBL23019347 0.68 PRKCQ (0.41) LRRK2PRKCQ
SCHEMBL29315063 0.68 LRRK2 (0.35) LRRK2PRKCQ
SCHEMBL19476565 0.68 MERTK (0.62) PRKCQCHEK1

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