SCHEMBL4044893

SCHEMBL4044893

Cc1nsc2nc(C(NCCCNC(=O)OC(C)(C)C)C(C)C)n(Cc3ccc(F)cc3)c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
KIF23 Q02241 1/20 0.42
GNRHR P30968 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.34
PLK1 P53350 2/20 0.33
DYRK1A Q13627 1/20 0.33
MKNK2 Q9HBH9 4/20 0.33
P2RX3 P56373 1/20 0.33
SCD O00767 1/20 0.33
ALDH1A1 P00352 1/20 0.32
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL3863849 0.92 KIF11 (0.49) KIF11KIF23GNRHRGAABRD4
SCHEMBL4061532 0.91 KIF11 (0.41) KIF11KIF23GNRHRBRD4PLK1
SCHEMBL4057634 0.88 KIF11 (0.51) KIF11KIF23GNRHRGAABRD4
SCHEMBL4042343 0.85 KIF11 (0.38) KIF11GNRHRPOLBGAABRD4
SCHEMBL3871323 0.81 KIF11 (0.49) KIF11KIF23GAABRD4TLR7
SCHEMBL4060625 0.81 KIF11 (0.41) KIF11KIF23GNRHRPOLBBRD4
SCHEMBL13956802 0.78 KIF11 (0.46) KIF11GNRHRBRD4DYRK1AALDH1A1
SCHEMBL3871312 0.77 KIF11 (0.46) KIF11GNRHRBRD4DYRK1ASCD
SCHEMBL4039832 0.77 KIF11 (0.48) KIF11KIF23GNRHRGAABRD4
SCHEMBL4059943 0.77 TSHR (0.39) KIF11GNRHRPOLBBRD4PLK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP disclosed