SCHEMBL7088884

SCHEMBL7088884

Nc1ccc(N)c(-c2ccnc(N)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
NOS3 P29474 4/20 0.41
NOS2 P35228 4/20 0.41
NOS1 P29475 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3B P49841 3/20 0.39
PDPK1 O15530 1/20 0.39
BTK Q06187 1/20 0.38
KCNH2 Q12809 1/20 0.38
CDC7 O00311 1/20 0.38

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
SCHEMBL7085158 0.81 KDM4C (0.42) KDM4EMEN1KMT2A
SCHEMBL7088779 0.81 ADORA2B (0.49) DYRK1A
SCHEMBL7086532 0.81 CCNC (0.43) DYRK1AMKNK2GSK3BCDC7
SCHEMBL7085923 0.81 ADORA2A (0.41) DYRK1AGSK3BCDC7
SCHEMBL1883277 0.78 IMPDH2 (0.51) KDM4EMEN1KMT2A
SCHEMBL7086299 0.78 MYC (0.47) DYRK1AGSK3BCDC7
SCHEMBL7085698 0.78 NOTUM (0.44) DYRK1ANOS3NOS2
SCHEMBL4402187 0.76 DYRK1A (0.63) DYRK1AMKNK1MKNK2NOS3NOS2
SCHEMBL30935767 0.76 DYRK1A (0.63) DYRK1AMKNK1MKNK2NOS3NOS2
SCHEMBL15649966 0.75 DYRK1A (0.63) DYRK1AMKNK1MKNK2NOS3NOS2

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