SCHEMBL7085680

SCHEMBL7085680

Nc1ccc(N)c(-c2ccncn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
EGFR P00533 4/20 0.38
MAPK9 P45984 3/20 0.36
MAP4K4 O95819 2/20 0.36
FRK P42685 2/20 0.36
CSNK1A1 P48729 2/20 0.36
DCLK1 O15075 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKACA P17612 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
SLK Q9H2G2 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
MAPK10 P53779 2/20 0.36
MAPK14 Q16539 2/20 0.36
CCNT1 O60563 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 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
SCHEMBL2650530 0.82 MAP4K4 (0.43) HSP90AA1EGFRMAPK9MAP4K4FRK
SCHEMBL27798094 0.81 HSP90AA1 (0.42) HSP90AA1EGFRMAPK9MAP4K4FRK
SCHEMBL5685355 0.80 HSP90AA1 (0.41) HSP90AA1EGFRMAPK9MAP4K4FRK
SCHEMBL28290775 0.79 EGFR (0.43) HSP90AA1EGFRMAPK9MAP4K4FRK
SCHEMBL28174574 0.78 MPL (0.42) HSP90AA1EGFRGSK3B
SCHEMBL27465891 0.78 GRM5 (0.50) HSP90AA1GSK3BADORA2AADORA2BCDC7
SCHEMBL27591971 0.77 ALDH1A1 (0.46) HSP90AA1MAPK9MAPK10MAPK14CCNT1
SCHEMBL462513 0.76 KDM1A (0.49) HSP90AA1ADORA2AALDH1A1LMNAMAPT
SCHEMBL16370824 0.75 AAK1 (0.51) HSP90AA1CLK4CCNT1CCNA2CDK2
SCHEMBL7089309 0.75 ASIC3 (0.52) HSP90AA1MAP4K4MEN1ALDH1A1LMNA

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