SCHEMBL7085557

SCHEMBL7085557

Nc1cncc(-c2cc(N)ccc2N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
PSIP1 O75475 1/20 0.40
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
BTK Q06187 1/20 0.39
DYRK1B Q9Y463 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DYRK1A Q13627 1/20 0.38
NTRK1 P04629 2/20 0.38
PRKCZ Q05513 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.35
ROCK2 O75116 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7088612 0.83 CYP2A6 (0.46) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL7086471 0.83 CYP11B1 (0.43) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL7091233 0.83 IDO1 (0.42) MEN1MKNK1MKNK2DYRK1BCYP11B1
SCHEMBL7085699 0.83 CYP11B1 (0.40) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL7088870 0.82 EGFR (0.41) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL7088800 0.79 CYP11B2 (0.41) CYP11B1CYP11B2DYRK1ACHRNB4CHRNA3
SCHEMBL7085350 0.79 MAP4K4 (0.45) CYP11B1CYP11B2IRAK4ROCK2ROCK1
Hydrochloric Acid SCHEMBL7133798 0.78 MAP4K4 (0.44) CYP11B1CYP11B2IRAK4ROCK2ROCK1
Hydrochloric Acid SCHEMBL7085454 0.78 MAP4K4 (0.44) CYP11B1CYP11B2IRAK4ROCK2ROCK1
SCHEMBL7088853 0.78 ALDH1A1 (0.46) MEN1ALDH1A1LMNAKMT2A

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