SCHEMBL4037664

SCHEMBL4037664

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
KIF11 P52732 2/20 0.40
KIF23 Q02241 1/20 0.40
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2C9 P11712 4/20 0.40
USP2 O75604 4/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
ALOX5AP P20292 1/20 0.38
CLK4 Q9HAZ1 1/20 0.36
RGS4 P49798 3/20 0.36
RGS8 P57771 3/20 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
SCHEMBL3864873 0.89 KIF11 (0.49) TP53KIF11KIF23CYP1A2CYP2C19
SCHEMBL4066139 0.87 MAPT (0.43) KIF11KIF23TSHRALDH1A1HSD17B10
SCHEMBL4219107 0.85 MAPK1 (0.46) TP53KIF11KIF23CYP1A2CYP3A4
SCHEMBL4037033 0.81 KIF11 (0.49) TP53KIF11KIF23CYP1A2CYP3A4
SCHEMBL4039113 0.81 KIF11 (0.47) TP53KIF11KIF23CYP1A2CYP3A4
SCHEMBL5316070 0.78 KIF11 (0.47) TP53KIF11KIF23CYP1A2CYP2C19
SCHEMBL5233894 0.78 KIF11 (0.47) TP53KIF11KIF23CYP1A2CYP2C19
SCHEMBL5232886 0.78 KIF11 (0.51) TP53KIF11KIF23CYP1A2CYP2C19
SCHEMBL5316296 0.78 MAPT (0.40) KIF11KIF23TSHRALDH1A1HSD17B10
SCHEMBL4043063 0.78 SMN1; SMN2 (0.44) TP53KIF11CYP1A2CYP3A4CYP2C19

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