SCHEMBL29313579

SCHEMBL29313579

CNc1ncc(C#N)c(NCC2CCCN2C)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.42
LRRK2 Q5S007 5/20 0.40
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
ABL2 P42684 1/20 0.40
PRKCQ Q04759 4/20 0.39
MAP3K8 P41279 3/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38

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 0.77 TNK2 (0.48) ABL1SRCMAP3K8
SCHEMBL29314449 0.76 CHEK1 (0.49) LRRK2PRKCQMAP3K8
SCHEMBL29313573 0.74 LRRK2 (0.47) LRRK2PRKCQ
SCHEMBL23019347 0.70 PRKCQ (0.41) LRRK2PRKCQ
SCHEMBL29313773 0.70 CCNA2 (0.46) LRRK2PRKCQ
SCHEMBL12824668 0.70 CHRNB2 (0.48) KAT2BCHRNB2CHRNA3
SCHEMBL18494148 0.69 KAT2B (0.48) KAT2BABL1SRCCHRNB2CHRNA3
SCHEMBL22767998 0.69 CHRNB2 (0.49) KAT2BCHRNB2CHRNA3
SCHEMBL15072064 0.68 CDK19 (0.56)
SCHEMBL29313606 0.68 PTK2 (0.40) LRRK2PRKCQ

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