SCHEMBL5753757

SCHEMBL5753757

CC(C)(CN)Cc1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.55
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
NT5E P21589 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.51
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
STAT3 P40763 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.48
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
SCD O00767 1/20 0.47
NAMPT P43490 1/20 0.47
FLT3 P36888 1/20 0.46

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
SCHEMBL5750903 0.91 KDM4E (0.58) KDM4EL3MBTL1POLBMAPTROCK2
SCHEMBL5751736 0.87 KDM4E (0.56) KDM4EL3MBTL1POLBMAPTROCK2
SCHEMBL6557824 0.86 KDM4E (0.63) KDM4EL3MBTL1POLBMAPTROCK2
SCHEMBL18674106 0.86 KDM4E (0.67) KDM4EL3MBTL1POLBMAPTROCK2
SCHEMBL6558299 0.82 KDM4E (0.65) KDM4EL3MBTL1POLBMAPTROCK2
SCHEMBL1438598 0.81 KDM4E (0.73) KDM4EL3MBTL1POLBMAPTROCK2
Hydrochloric Acid SCHEMBL5462828 0.80 KDM4E (0.71) KDM4EL3MBTL1POLBMAPTROCK2
Bromide SCHEMBL12078585 0.80 KDM4E (0.71) KDM4EL3MBTL1POLBMAPTROCK2
SCHEMBL1553020 0.79 KDM4E (0.69) KDM4EL3MBTL1POLBMAPTROCK2
SCHEMBL12228179 0.78 KDM4E (0.73) KDM4EL3MBTL1POLBMAPTROCK2

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-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP claimed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO claimed