SCHEMBL7086299

SCHEMBL7086299

N#Cc1cc(-c2cc(N)ccc2N)ccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.47
XDH P47989 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
LRRK2 Q5S007 1/20 0.39
NPY5R Q15761 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
AAK1 Q2M2I8 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
GRM2 Q14416 2/20 0.33
MDM4 O15151 1/20 0.33
CDC7 O00311 1/20 0.33
MAP4K4 O95819 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL17407898 0.81 DYRK1A (0.42) MYCXDHABCG2LRRK2NPY5R
SCHEMBL7088884 0.78 DYRK1A (0.43) GSK3BDYRK1ACDC7
SCHEMBL7642979 0.77 PDE10A (0.42) MYCGRM2MAP4K4PDE10A
SCHEMBL7085448 0.77 PDE10A (0.42) MYCGRM2MAP4K4PDE10A
SCHEMBL30620571 0.77
SCHEMBL1796309 0.77
SCHEMBL9792895 0.76 MYC (0.62) MYCXDHABCG2LRRK2NPY5R
SCHEMBL31133396 0.76 MYC (0.62) MYCXDHABCG2LRRK2NPY5R
SCHEMBL7086532 0.75 CCNC (0.43) GSK3BDYRK1ACDC7MAP4K4
SCHEMBL7085158 0.75 KDM4C (0.42) AAK1MAP4K4PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP claimed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US claimed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP claimed
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP disclosed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed