SCHEMBL6209979

SCHEMBL6209979

Cc1ccc(C(=O)N(CCCc2nc3snc(C)c3c(=O)n2Cc2ccccc2)CCCN2CCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.54
KIF23 Q02241 1/20 0.54
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.38
MC4R P32245 1/20 0.38
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAP1LC3B Q9GZQ8 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
SCHEMBL3966803 0.88 KIF11 (0.68) KIF11KIF23KCNH2MAP1LC3B
SCHEMBL3957584 0.88 KIF11 (0.57) KIF11KIF23LMNAKCNH2TP53
SCHEMBL3958220 0.88 KIF11 (0.63) KIF11KIF23KCNH2MAP1LC3B
SCHEMBL3961576 0.86 KIF11 (0.57) KIF11KIF23KCNH2MAP1LC3B
SCHEMBL6207373 0.84 KIF11 (0.53) KIF11KIF23LMNATP53GAA
SCHEMBL6209231 0.84 KIF11 (0.53) KIF11KIF23LMNATP53GAA
SCHEMBL3959159 0.83 KIF11 (0.60) KIF11KIF23KCNH2MAP1LC3B
SCHEMBL5246236 0.82 KIF11 (0.52) KIF11KIF23MC4R
SCHEMBL3959566 0.82 KIF11 (0.59) KIF11KIF23KCNH2MAP1LC3B
SCHEMBL6207429 0.82 KIF11 (0.49) KIF11KIF23

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 EP disclosed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 WO disclosed