SCHEMBL27740539

SCHEMBL27740539

NC(=O)c1cccc(-c2cccs2)c1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CHEK2 O96017 2/20 0.42
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
PLK4 O00444 1/20 0.42
MAPK13 O15264 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
PHKG2 P15735 1/20 0.42
PRKACA P17612 1/20 0.42

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
SCHEMBL3646839 0.80 PLK4 (0.54) CHEK2DYRK1ACLK4PLK4MAPK13
SCHEMBL3559657 0.77 ALDH1A1 (0.54) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL3914464 0.77 KDM4E (0.48) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL17237437 0.77 SIRT3 (0.51) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL27484628 0.76 ALDH1A1 (0.58) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL23455762 0.76 CDC7 (0.57) MAPTCHEK2DYRK1ACLK4PLK4
SCHEMBL2417969 0.75 ALDH1A1 (0.49) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL7143112 0.74 PLK4 (0.49) CHEK2DYRK1ACLK4PLK4MAPK13
SCHEMBL15567697 0.74 ROCK2 (0.49) CHEK2DYRK1ACLK4PLK4MAPK13
SCHEMBL8817729 0.74 PARP1 (0.47) MAPTCHEK2DYRK1ACLK4PLK4

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
CN-101287707-A Kinase inhibitors DEVGEN NV (BE) 2008-10-15 CN claimed