SCHEMBL5316296

SCHEMBL5316296

Cc1nsc2nc(CC(C)CBr)n(Cc3cccc(F)c3)c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KIF11 P52732 2/20 0.38
KIF23 Q02241 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
CASR P41180 1/20 0.35
PDE1A P54750 3/20 0.35
PDE1B Q01064 3/20 0.35
PDE1C Q14123 3/20 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
SCHEMBL4066139 0.90 MAPT (0.43) MAPTKIF11KIF23RXFP1THRB
SCHEMBL5233894 0.88 KIF11 (0.47) MAPTKIF11KIF23ALDH1A1HPGD
SCHEMBL4060770 0.83 MAPT (0.46) MAPTKIF11KIF23RXFP1THRB
SCHEMBL5237790 0.81 SLC26A6 (0.41) MAPTKIF11RXFP1THRBALDH1A1
SCHEMBL4060564 0.81 KIF11 (0.46) MAPTKIF11KIF23RXFP1THRB
SCHEMBL4066692 0.79 KIF11 (0.48) MAPTKIF11KIF23RXFP1THRB
SCHEMBL4057334 0.79 KIF11 (0.46) MAPTKIF11KIF23RXFP1THRB
SCHEMBL5316070 0.78 KIF11 (0.47) MAPTKIF11KIF23ALDH1A1HPGD
SCHEMBL5232886 0.78 KIF11 (0.51) MAPTKIF11KIF23HPGDKDM4E
SCHEMBL4037664 0.78 TP53 (0.41) KIF11KIF23RXFP1ALDH1A1HPGD

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-1781673-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF AstraZeneca AB (SE) 2007-05-09 EP disclosed
WO-2006018627-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2006-02-23 WO disclosed