SCHEMBL7086532

SCHEMBL7086532

Cc1cc(-c2cc(N)ccc2N)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
MAP4K4 O95819 3/20 0.43
DYRK1A Q13627 3/20 0.42
MTOR P42345 3/20 0.42
PIK3CB P42338 1/20 0.41
NFATC1 O95644 1/20 0.41
UHRF1 Q96T88 1/20 0.41
TDO2 P48775 3/20 0.39
PIM1 P11309 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
CASP1 P29466 1/20 0.36
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL18504874 0.82 CCNC (0.43) CCNCCDK8MAP4K4DYRK1AMTOR
SCHEMBL7088884 0.81 DYRK1A (0.43) DYRK1ACDC7GSK3BMKNK2
SCHEMBL16923465 0.81 CCNC (0.46) CCNCCDK8MAP4K4DYRK1AMTOR
SCHEMBL6915992 0.79 PDE3B (0.48) CCNCCDK8MAP4K4DYRK1AMTOR
SCHEMBL31729829 0.79 GLA (0.43) CCNCCDK8MAP4K4TDO2
SCHEMBL7085158 0.79 KDM4C (0.42) MAP4K4CASP1
SCHEMBL7085923 0.79 ADORA2A (0.41) CCNCCDK8MAP4K4DYRK1ACASP1
SCHEMBL7088779 0.79 ADORA2B (0.49) MAP4K4DYRK1ANFATC1
SCHEMBL1492706 0.77 DYRK1A (0.61) CCNCCDK8MAP4K4DYRK1APIK3CB
SCHEMBL1492639 0.77 DYRK1A (0.49) CCNCCDK8MAP4K4DYRK1APIM1

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