SCHEMBL4066692

SCHEMBL4066692

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.48
KIF23 Q02241 1/20 0.48
MAPT P10636 5/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GNRHR P30968 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
CASR P41180 1/20 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
SCHEMBL4060564 0.88 KIF11 (0.46) KIF11KIF23MAPTKDM4EALDH1A1
SCHEMBL4037033 0.88 KIF11 (0.49) KIF11KIF23MAPTKDM4EALDH1A1
SCHEMBL3865058 0.88 KIF11 (0.59) KIF11KIF23MAPTKDM4EALDH1A1
SCHEMBL4057334 0.84 KIF11 (0.46) KIF11KIF23MAPTKDM4EALDH1A1
SCHEMBL4066139 0.82 MAPT (0.43) KIF11KIF23MAPTKDM4EALDH1A1
SCHEMBL4058305 0.80 KIF11 (0.44) KIF11MAPTKDM4EALDH1A1HPGD
SCHEMBL5316296 0.79 MAPT (0.40) KIF11KIF23MAPTKDM4EALDH1A1
SCHEMBL4060770 0.79 MAPT (0.46) KIF11KIF23MAPTKDM4EALDH1A1
SCHEMBL3875938 0.78 KIF11 (0.83) KIF11KIF23
SCHEMBL3867342 0.78 KIF11 (0.83) 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 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