SCHEMBL4679150

SCHEMBL4679150

COc1nc(N2CCCC2)c(N)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.41
CASP6 P55212 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CASP1 P29466 3/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RCE1 Q9Y256 1/20 0.40
MAP2K7 O14733 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HRH4 Q9H3N8 4/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL24251657 0.79 ALDH1A1 (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL4673620 0.79 CDK1 (0.33) MAPTCASP1HRH4
SCHEMBL4677485 0.77 CHUK (0.39) MEN1KMT2AKDM4EALDH1A1CASP1
SCHEMBL4674001 0.75 MAP4K4 (0.41) HRH4
SCHEMBL4864975 0.74 MAPT (0.44) MEN1KMT2AMAPTALDH1A1CASP1
SCHEMBL33961 0.74 MAPT (0.44) MEN1KMT2AMAPTALDH1A1CASP1
SCHEMBL4673036 0.73 MAPT (0.34) MAPTCASP1
Hydrochloric Acid SCHEMBL970834 0.72 MAPT (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL2479718 0.72 MAPT (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2412222 0.72 CNR2 (0.43) SMN1; SMN2HRH4NUDT1CRHBPCRHR2

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