SCHEMBL23019347

SCHEMBL23019347

CNc1ncc(C#N)c(NCC2(O)CCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 13/20 0.41
AURKA O14965 1/20 0.39
LRRK2 Q5S007 5/20 0.36
SYK P43405 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
SCHEMBL29313773 0.77 CCNA2 (0.46) PRKCQAURKALRRK2SYK
SCHEMBL29314061 0.74 PDE4A (0.39) AURKALRRK2SYK
SCHEMBL29314042 0.73 NUDT1 (0.45) PRKCQAURKALRRK2SYK
SCHEMBL29313606 0.72 PTK2 (0.40) PRKCQAURKALRRK2SYK
SCHEMBL29313462 0.72 LRRK2 (0.39) PRKCQAURKALRRK2SYK
SCHEMBL29313569 0.72 TNK2 (0.48)
SCHEMBL29314449 0.71 CHEK1 (0.49) PRKCQLRRK2SYK
SCHEMBL29313552 0.70 PTK2 (0.43) PRKCQAURKALRRK2SYK
SCHEMBL20164739 0.68 SLC29A1 (0.40)
SCHEMBL23782214 0.68 CNR2 (0.34)

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-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-02-24 EP disclosed