SCHEMBL4815907

SCHEMBL4815907

Cc1cc(Nc2ccc(N)cc2)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.64
CDK1 P06493 1/20 0.50
CDK2 P24941 1/20 0.50
AURKA O14965 5/20 0.46
SRC P12931 1/20 0.46
GSK3B P49841 1/20 0.46
EGFR P00533 1/20 0.44
AURKB Q96GD4 3/20 0.44
IGF1R P08069 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
PLK4 O00444 1/20 0.43
PAK4 O96013 1/20 0.43

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
Hydrochloric Acid SCHEMBL4808013 0.98 DHODH (0.62) DHODHCDK1CDK2AURKASRC
SCHEMBL9820151 0.81 MEN1 (0.65) DHODHCDK2AURKASRCGSK3B
SCHEMBL10294586 0.81 AURKA (0.46) DHODHAURKASRCGSK3BAURKB
SCHEMBL9820128 0.79 DHODH (0.60) DHODHAURKAGSK3BAURKBMEN1
SCHEMBL11917491 0.79 ULK1 (0.50) DHODHAURKASRCGSK3BAURKB
SCHEMBL14293657 0.78 DHODH (0.59) DHODHCDK2AURKASRCGSK3B
SCHEMBL21247715 0.77 CDK2 (0.76) CDK1CDK2ALDH1A1GAAMAPT
SCHEMBL12430732 0.77 AURKA (0.84) AURKASRCGSK3BAURKBPLK4
SCHEMBL4808746 0.76 PIK3C3 (0.65) DHODHCDK2AURKAGSK3BEGFR
SCHEMBL13663574 0.74 DHODH (0.55) DHODHAURKASRCGSK3BAURKB

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
US-7329288-B2 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2008-02-12 US claimed
US-20060005323-A1 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2006-01-12 US claimed
EP-1568694-A1 N-heteroaryl-para-phenylene diamines for colouring hair L'OREAL (FR) 2005-08-31 EP claimed
US-7329288-B2 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2008-02-12 US disclosed
US-7329288-B2 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2008-02-12 US disclosed
EP-1568694-A1 N-heteroaryl-para-phenylene diamines for colouring hair L'OREAL (FR) 2005-08-31 EP disclosed