SCHEMBL5325935

SCHEMBL5325935

CCC1(CC)NSc2nc(CC(C)CNCCCNC(=O)OC(C)(C)C)n(Cc3ccccc3)c(=O)c21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
TLR7 Q9NYK1 6/20 0.37
SIGMAR1 Q99720 2/20 0.34
GNRHR P30968 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IL6 P05231 1/20 0.34
PAX8 Q06710 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDO1 P14902 1/20 0.33
BRD4 O60885 1/20 0.33
CACNA1G O43497 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4753094 0.78 GNRHR (0.41) KIF11TLR7GNRHRTDP1BRD4
SCHEMBL4753082 0.78 TLR7 (0.41) KIF11TLR7GNRHRL3MBTL1PAX8
SCHEMBL5248653 0.78 KIF11 (0.42) KIF11TLR7SIGMAR1GNRHRBRD4
SCHEMBL5250052 0.76 KIF11 (0.40) KIF11TLR7SIGMAR1GNRHRPCSK9
SCHEMBL4752600 0.75 KIF11 (0.42) KIF11TLR7L3MBTL1
SCHEMBL5233038 0.70 SLC26A6 (0.39) KIF11GNRHRBRD4POLBMAPT
SCHEMBL4363435 0.68 PCSK9 (0.42) KIF11GNRHRPCSK9IDO1BRD4
SCHEMBL5918503 0.67 KIF11 (0.38) KIF11TLR7SIGMAR1L3MBTL1PAX8
SCHEMBL5754463 0.66 SYK (0.43) KIF11L3MBTL1BRD4POLBMAPT
SCHEMBL4368388 0.65 CRHBP (0.43) PCSK9MAPT

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