SCHEMBL5247152

SCHEMBL5247152

Cc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)CC(C)Cc2nc3snc(C)c3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.52
KIF23 Q02241 1/20 0.52
MC4R P32245 1/20 0.37
PDE6D O43924 2/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 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
SCHEMBL5246236 0.90 KIF11 (0.52) KIF11KIF23MC4R
SCHEMBL3961566 0.87 KIF11 (0.57) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL360705 0.87 KIF11 (0.68) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5248554 0.87 KIF11 (0.49) KIF11KIF23MC4RPDE6DMAP1LC3B
SCHEMBL5756154 0.86 KIF11 (0.51) KIF11KIF23MC4RMAP1LC3BCYP3A4
SCHEMBL3958171 0.85 KIF11 (0.63) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5740939 0.85 KIF11 (0.47) KIF11KIF23MC4R
SCHEMBL3872246 0.84 KIF11 (0.74) KIF11KIF23PDE6DMAP1LC3BCYP3A4
SCHEMBL5248653 0.83 KIF11 (0.42) KIF11KIF23CYP3A4
SCHEMBL4066353 0.82 KIF11 (0.45) KIF11KIF23MC4R

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