SCHEMBL4065655

SCHEMBL4065655

Cc1noc2nc(C(NCCCNC(=O)O)C(C)C)n(Cc3cccc(F)c3)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
SLC26A6 Q9BXS9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
POLB P06746 1/20 0.36
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.34
PDPK1 O15530 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4059943 0.90 TSHR (0.39) KIF11SLC26A6SMN1; SMN2MAPTALDH1A1
SCHEMBL3871312 0.82 KIF11 (0.46) KIF11SLC26A6SMN1; SMN2MAPTALDH1A1
SCHEMBL4042343 0.81 KIF11 (0.38) KIF11SLC26A6SMN1; SMN2LMNAPOLB
SCHEMBL4058305 0.79 KIF11 (0.44) KIF11SLC26A6MAPTALDH1A1LMNA
SCHEMBL4060901 0.79 KIF11 (0.42) KIF11SLC26A6MAPTALDH1A1LMNA
SCHEMBL4037716 0.77 KIF11 (0.68) KIF11
SCHEMBL4061532 0.75 KIF11 (0.41) KIF11MAPTALDH1A1LMNAHPGD
SCHEMBL4059248 0.74 SLC26A6 (0.43) KIF11SLC26A6SMN1; SMN2MAPTALDH1A1
SCHEMBL5233038 0.73 SLC26A6 (0.39) KIF11SLC26A6SMN1; SMN2MAPTALDH1A1
SCHEMBL3869131 0.73 KIF11 (0.52) KIF11

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-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 EP disclosed