SCHEMBL29313462

SCHEMBL29313462

CNc1ncc(C#N)c(NCC(F)(F)CO)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.39
PRKCQ Q04759 7/20 0.39
PRKCD Q05655 6/20 0.39
AURKA O14965 1/20 0.39
CHEK1 O14757 3/20 0.37
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
SCHEMBL29314042 0.86 NUDT1 (0.45) LRRK2PRKCQPRKCDAURKACHEK1
SCHEMBL29313773 0.80 CCNA2 (0.46) LRRK2PRKCQAURKASYK
SCHEMBL29313606 0.72 PTK2 (0.40) LRRK2PRKCQAURKASYK
SCHEMBL23019347 0.72 PRKCQ (0.41) LRRK2PRKCQAURKASYK
SCHEMBL18293973 0.71 PRKCQ (0.56) PRKCQPRKCDCHEK1
SCHEMBL29313552 0.70 PTK2 (0.43) LRRK2PRKCQPRKCDAURKASYK
SCHEMBL16842117 0.69 PRKCQ (0.63) PRKCQPRKCD
SCHEMBL29314061 0.69 PDE4A (0.39) LRRK2AURKASYK
SCHEMBL29315063 0.69 LRRK2 (0.35) LRRK2PRKCQPRKCDAURKASYK
SCHEMBL29315097 0.68 MAP3K8 (0.43) LRRK2PRKCQAURKASYK

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