SCHEMBL2367696

SCHEMBL2367696

COc1cccc(C2=NC(c3nc(-c4cccc(OC)c4)c(-c4cccc(OC)c4-c4ccccc4Cl)[nH]3)(c3ccccc3Cl)N=C2c2cccc(OC)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.39
MAPK14 Q16539 3/20 0.37
MAPK13 O15264 1/20 0.37
RAF1 P04049 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
PDE4B Q07343 3/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CHRM4 P08173 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
DHPS P49366 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL38651221 0.78 L3MBTL1 (0.39) TEKPDE4BMAPTSMN1; SMN2PDE4A
SCHEMBL6669434 0.72 DYRK1A (0.39) MAPK14PDE4BADORA2AADORA1MAPT
SCHEMBL11212021 0.70 KDM4E (0.41) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL942701 0.69 TEK (0.70) TEKMAPK14MAPK13RAF1MAPK12
SCHEMBL29363034 0.69 TEK (0.70) TEKMAPK14MAPK13RAF1MAPK12
SCHEMBL29660677 0.69 DYRK1A (0.43) PDE4BADORA2AADORA1MAPTSMN1; SMN2
SCHEMBL82380 0.69 DYRK1A (0.43) PDE4BADORA2AADORA1MAPTSMN1; SMN2
SCHEMBL307530 0.68 PDE10A (0.37) TEKPDE4BADORA2AADORA1
SCHEMBL4659789 0.68 ADORA2A (0.39) PDE4BADORA2AADORA1MAPTSMN1; SMN2
SCHEMBL16355183 0.66 MAPK10 (0.35) TEKMAPK14ADORA2AADORA1MAPT

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-2366748-A2 Ink composition and recording method Seiko Epson Corporation (JP) 2011-09-21 EP disclosed