SCHEMBL4677485

SCHEMBL4677485

COc1nc(N2CCC(O)C2)c(N)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
CNR2 P34972 4/20 0.37
PRKAB2 O43741 4/20 0.37
PRKAG1 P54619 4/20 0.37
PRKAA2 P54646 4/20 0.37
PRKAA1 Q13131 4/20 0.37
PRKAG3 Q9UGI9 4/20 0.37
PRKAG2 Q9UGJ0 4/20 0.37
PRKAB1 Q9Y478 4/20 0.37
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL4673620 0.82 CDK1 (0.33) CASP1CDK1CDK2
SCHEMBL4674001 0.81 MAP4K4 (0.41)
SCHEMBL2411465 0.78 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4679150 0.77 CASP3 (0.41) KDM4EMEN1CASP1CASP7KMT2A
Hydrochloric Acid SCHEMBL2417156 0.77 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4675963 0.72 CNR2 (0.34) CNR2
SCHEMBL4673036 0.72 MAPT (0.34) CASP1
SCHEMBL4676304 0.71 CDK1 (0.39) CHUKCNR2CDK1CDK2SMPD3
SCHEMBL2413653 0.71 SMPD3 (0.47) CHUKCDK1CDK2SMPD3
Hydrochloric Acid SCHEMBL5373380 0.70 CDK1 (0.38) CHUKCNR2CDK1CDK2SMPD3

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