SCHEMBL4674342

SCHEMBL4674342

COC1CC(O)CCN1c1ncc(N)cc1N

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.36
NEK2 P51955 3/20 0.31
MDM2 Q00987 2/20 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
SCHEMBL4679996 0.81 OPRK1 (0.34) OPRK1
SCHEMBL4676746 0.80 OPRK1 (0.40) OPRK1
SCHEMBL4676761 0.73 OPRK1 (0.42) OPRK1NEK2
SCHEMBL4675876 0.72 GBA1 (0.37) OPRK1MDM2
SCHEMBL4676304 0.71 CDK1 (0.39) OPRK1
Hydrochloric Acid SCHEMBL5373380 0.70 CDK1 (0.38) OPRK1
SCHEMBL4674143 0.68 JAK3 (0.45)
SCHEMBL4673286 0.68 OPRK1 (0.35) OPRK1
SCHEMBL4674125 0.67 HTT (0.47) OPRK1
SCHEMBL4677255 0.67 OPRK1 (0.39) OPRK1NEK2

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