SCHEMBL5248554

SCHEMBL5248554

Cc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)CC(C)Cc2nc3onc(C)c3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.49
KIF23 Q02241 1/20 0.38
MC4R P32245 1/20 0.37
PDE6D O43924 2/20 0.34
SCD O00767 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL3905973 0.90 KIF11 (0.51) KIF11KIF23MC4R
SCHEMBL3962257 0.87 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5247152 0.87 KIF11 (0.52) KIF11KIF23MC4RPDE6DMAP1LC3B
SCHEMBL5756154 0.86 KIF11 (0.51) KIF11KIF23MC4RMAP1LC3BCYP3A4
SCHEMBL3865232 0.83 KIF11 (0.60) KIF11KIF23PDE6DMAP1LC3BCYP3A4
SCHEMBL5250052 0.83 KIF11 (0.40) KIF11SCD
SCHEMBL3887257 0.82 KIF11 (0.75) KIF11
SCHEMBL5739696 0.81 KIF11 (0.55) KIF11KIF23
SCHEMBL3957538 0.80 KIF11 (0.55) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5250049 0.80 KIF11 (0.43) KIF11MC4RSCDKCNH2

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-1781674-A1 ENANTIOMERS OF SELECTED FUSED PYRIMIDONES AND USES IN THE TREATMENT AND PREVENTION OF CANCER AstraZeneca AB (SE) 2007-05-09 EP disclosed
WO-2006018628-A1 ENANTIOMERS OF SELECTED FUSED PYRIMIDONES AND USES IN THE TREATMENT AND PREVENTI ON OF CANCER ASTRAZENECA AB (SE) 2006-02-23 WO disclosed