SCHEMBL3363019

SCHEMBL3363019

Nc1cc(-c2ccc(F)cc2Cl)ccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.47
DYRK1A Q13627 6/20 0.47
SCN9A Q15858 3/20 0.44
CYP17A1 P05093 1/20 0.43
CLK1 P49759 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
ROS1 P08922 1/20 0.42
ADORA2B P29275 1/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
EPHB4 P54760 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 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
SCHEMBL4503767 0.78 TDO2 (0.54) CLK1ALOX5APFEN1
SCHEMBL3362961 0.77 PIK3C3 (0.61) PIK3C3DYRK1AALOX5APFEN1
SCHEMBL3383277 0.77 MAPK14 (0.56) NISCHMAPK14
SCHEMBL21859672 0.77 ABL1 (0.62) DYRK1ASCN9ANISCHMAPK13MAPK12
SCHEMBL319794 0.77 NPC1 (0.50) DYRK1ASCN9AALOX5APFEN1MAPK13
SCHEMBL30091450 0.77 ABL1 (0.62) DYRK1ASCN9ANISCHMAPK13MAPK12
SCHEMBL3360845 0.76 EGLN2 (0.48) PIK3C3DYRK1A
SCHEMBL30507450 0.76 DYRK1A (0.53) DYRK1AALOX5APFEN1
SCHEMBL2371385 0.76 DYRK1A (0.53) DYRK1AALOX5APFEN1
SCHEMBL21001790 0.74 DYRK1A (0.59) DYRK1AADORA2BMAPK13MAPK12MAPK11

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed