SCHEMBL7572076

SCHEMBL7572076

NCCNc1ccc2[nH]ncc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.55
ROCK1 Q13464 9/20 0.55
PKN2 Q16513 2/20 0.52
TRPM5 Q9NZQ8 1/20 0.51
RAB9A P51151 3/20 0.50
MKNK1 Q9BUB5 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPKAPK2 P49137 1/20 0.49
NPC1 O15118 2/20 0.48
CDC7 O00311 2/20 0.48
MAPK1 P28482 2/20 0.48
JAK2 O60674 1/20 0.47

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
SCHEMBL11934937 0.88 ROCK2 (0.51) ROCK2ROCK1PKN2TRPM5RAB9A
SCHEMBL10936657 0.87 INSR (0.55) RAB9AKDM4EMEN1ALDH1A1GAA
SCHEMBL13122158 0.80 ROCK2 (0.55) ROCK2ROCK1TRPM5RAB9AMKNK1
SCHEMBL12257075 0.80 JAK2 (0.60) ROCK2ROCK1TRPM5RAB9AMKNK1
SCHEMBL13122090 0.78 ROCK2 (0.68) ROCK2ROCK1TRPM5RAB9ANPC1
SCHEMBL5564049 0.78 MKNK1 (0.60) ROCK2ROCK1RAB9AMKNK1KDM4E
SCHEMBL13030190 0.77 ROCK2 (0.58) ROCK2ROCK1TRPM5RAB9ANPC1
SCHEMBL13122244 0.76 ROCK2 (0.54) ROCK2ROCK1TRPM5RAB9AMKNK1
Hydrochloric Acid SCHEMBL2082481 0.76 MKNK1 (0.59) ROCK2ROCK1RAB9AMKNK1KDM4E
SCHEMBL13122377 0.76 TRPM5 (0.53) ROCK2ROCK1TRPM5RAB9ANPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP claimed
EP-0904769-A1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method L'OREAL (FR) 1999-03-31 EP claimed
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP disclosed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US disclosed
EP-0904769-A1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method L'OREAL (FR) 1999-03-31 EP disclosed
US-4608383-A Cardioactive pyrazole and imidazole aryloxypropanolamines BOEHRINGER MANNHEIM GMBH (DE) 1986-08-26 US disclosed
EP-0042593-B1 ARYLOXY-PROPANOL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1985-04-03 EP disclosed
US-4507488-A N-Pyrazolylalkylenediamine intermediates BOEHRINGER MANNHEIM GMBH (DE) 1985-03-26 US disclosed
EP-0042592-B1 N-HETEROARYLALKYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE Roche Diagnostics GmbH (DE) 1985-01-30 EP disclosed
US-4438128-A ADRENERGIC BLOCKERS BOEHRINGER MANNHEIM GMBH (DE) 1984-03-20 US disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 EP disclosed
EP-0042592-A1 N-heteroarylalkylene diamines, process for their preparation and their use Roche Diagnostics GmbH (DE) 1981-12-30 EP disclosed