SCHEMBL5740657

SCHEMBL5740657

CCCN(CCCNC(=O)OC(C)(C)C)c1nc2snc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
KIF23 Q02241 1/20 0.43
TLR7 Q9NYK1 4/20 0.38
DRD2 P14416 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
KCNH2 Q12809 1/20 0.37
AKT1 P31749 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL5248649 0.91 KIF11 (0.45) KIF11KIF23TLR7SIGMAR1FNTA
SCHEMBL5246048 0.84 KIF11 (0.44) KIF11TLR7DRD2SIGMAR1FNTA
SCHEMBL3871323 0.81 KIF11 (0.49) KIF11KIF23TLR7SIGMAR1BRD4
SCHEMBL5740661 0.81 TLR7 (0.43) KIF11KIF23TLR7SIGMAR1BRD4
SCHEMBL3863849 0.80 KIF11 (0.49) KIF11KIF23TLR7SIGMAR1FNTA
SCHEMBL4039832 0.79 KIF11 (0.48) KIF11KIF23TLR7AKT1BRD4
SCHEMBL5246236 0.79 KIF11 (0.52) KIF11KIF23TLR7SIGMAR1
SCHEMBL4750947 0.79 KIF11 (0.45) KIF11TLR7
SCHEMBL5740939 0.79 KIF11 (0.47) KIF11KIF23TLR7SIGMAR1
SCHEMBL3863579 0.79 KIF11 (0.75) 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-1628981-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2004106492-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-09 WO disclosed