SCHEMBL4677255

SCHEMBL4677255

COC1CCCC(C(=O)O)N1c1ncc(N)cc1N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.39
NEK2 P51955 3/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
PLK1 P53350 1/20 0.30
NEK1 Q96PY6 1/20 0.30

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
SCHEMBL4673141 0.81 OPRK1 (0.37) OPRK1
SCHEMBL4673286 0.80 OPRK1 (0.35) OPRK1
SCHEMBL4679153 0.79 OPRK1 (0.38) OPRK1KEAP1NFE2L2
SCHEMBL4679460 0.77 OPRK1 (0.38) OPRK1
SCHEMBL4676456 0.75 SMN1; SMN2 (0.47) OPRK1NEK2KEAP1NFE2L2
SCHEMBL4676449 0.75 SMN1; SMN2 (0.47) OPRK1NEK2KEAP1NFE2L2
SCHEMBL4676435 0.74 SMN1; SMN2 (0.43) OPRK1NEK2KEAP1NFE2L2
SCHEMBL4677592 0.73 SMN1; SMN2 (0.45) OPRK1NEK2KEAP1NFE2L2
SCHEMBL4676746 0.72 OPRK1 (0.40) OPRK1
SCHEMBL4679996 0.68 OPRK1 (0.34) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457199-B1 Coupling agents having a 2,3,5-triaminopyridine structure and their use for dyeing keratinic fibres OREAL (FR) 2008-05-14 EP disclosed
US-7175670-B2 Couplers of 2,3,5-triaminopyridine and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2007-02-13 US disclosed
US-20050081313-A1 Novel couplers of 2,3,5-triaminopyridine and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2005-04-21 US disclosed
EP-1459732-A1 Dye composition comprising at least one heterocyclic oxidation base and at least one 2,3,5-triaminopyridine as coupler L'OREAL (FR) 2004-09-22 EP disclosed
EP-1457199-A1 Coupling agents having a 2,3,5-triaminopyridine structure and their use for dyeing keratinic fibres L'OREAL (FR) 2004-09-15 EP disclosed