SCHEMBL4675962

SCHEMBL4675962

Nc1cnc(N2CCCC2CO)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CUL4A Q13619 1/20 0.40
PDE10A Q9Y233 1/20 0.39
PAK4 O96013 1/20 0.39
AOC3 Q16853 2/20 0.39
HDAC6 Q9UBN7 1/20 0.38
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37

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
SCHEMBL4679581 0.96 CUL4A (0.44) CHUKMKNK1MKNK2ADORA2AADORA1
SCHEMBL4673206 0.85 NPY5R (0.41) CCNE1CDK2CCNE2CDK4CCND1
Hydrochloric Acid SCHEMBL5394721 0.84 NPY5R (0.41) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4674143 0.78 JAK3 (0.45)
SCHEMBL4675876 0.76 GBA1 (0.37)
SCHEMBL4676449 0.76 SMN1; SMN2 (0.47)
SCHEMBL2791704 0.75 ALOX5AP (0.45) CHUKMKNK1MKNK2ADORA2AADORA1
SCHEMBL2791106 0.75 ALOX5AP (0.45) CHUKMKNK1MKNK2ADORA2AADORA1
SCHEMBL4673286 0.74 OPRK1 (0.35)
SCHEMBL4674125 0.74 HTT (0.47)

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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