SCHEMBL5246236

SCHEMBL5246236

Cc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)CCCc2nc3snc(C)c3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.52
KIF23 Q02241 1/20 0.51
TLR7 Q9NYK1 5/20 0.39
GNRHR P30968 1/20 0.38
MC4R P32245 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PPARA Q07869 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
SCHEMBL5740939 0.95 KIF11 (0.47) KIF11KIF23TLR7GNRHRMC4R
SCHEMBL4066353 0.92 KIF11 (0.45) KIF11KIF23GNRHRMC4R
SCHEMBL5247152 0.90 KIF11 (0.52) KIF11KIF23MC4R
SCHEMBL3961576 0.87 KIF11 (0.57) KIF11KIF23
SCHEMBL3905973 0.86 KIF11 (0.51) KIF11KIF23TLR7GNRHRMC4R
SCHEMBL3958220 0.86 KIF11 (0.63) KIF11KIF23
SCHEMBL3957584 0.86 KIF11 (0.57) KIF11KIF23
SCHEMBL3966803 0.86 KIF11 (0.68) KIF11KIF23
SCHEMBL5740661 0.85 TLR7 (0.43) KIF11KIF23TLR7GNRHRSIGMAR1
SCHEMBL3872246 0.84 KIF11 (0.74) 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-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