SCHEMBL6367208

SCHEMBL6367208

CSc1c(F)cccc1NC(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 7/20 0.48
PDK2 Q15119 7/20 0.48
PDK3 Q15120 7/20 0.48
PDK4 Q16654 7/20 0.48
JAK2 O60674 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KLK7 P49862 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PARP14 Q460N5 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL6367216 0.79 SMN1; SMN2 (0.56) PDK1PDK2PDK3PDK4JAK2
SCHEMBL3596918 0.78 TP53 (0.50) PDK1PDK2PDK3PDK4JAK2
SCHEMBL1576313 0.78 PDK1 (0.67) PDK1PDK2PDK3PDK4JAK2
SCHEMBL22262468 0.76 MAPT (0.48) PDK1PDK2PDK3PDK4JAK2
SCHEMBL20051277 0.76 HDAC1 (0.51) PDK1PDK2PDK3PDK4JAK2
SCHEMBL14764250 0.76 HTT (0.48) PDK1PDK2PDK3PDK4JAK2
SCHEMBL29659883 0.76 MAPT (0.48) PDK1PDK2PDK3PDK4JAK2
SCHEMBL10625596 0.72 KMT2A (0.52) PDK1PDK2PDK3PDK4JAK2
SCHEMBL4343335 0.72 TAS1R3 (0.53) PDK1PDK2PDK3PDK4JAK2
SCHEMBL3628825 0.72 MAP2K2 (0.44) PDK1PDK2PDK3PDK4MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 WO disclosed