SCHEMBL4740907

SCHEMBL4740907

COc1nc(N2CCCC2C(=O)N(C)OC)c(N)cc1N

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.34
POLQ O75417 2/20 0.34
PIK3C3 Q8NEB9 1/20 0.32
UCHL1 P09936 1/20 0.31
USP30 Q70CQ3 1/20 0.31
MAPT P10636 1/20 0.31
ACVR1 Q04771 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30
BACE1 P56817 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
SCHEMBL4673220 0.85 KMT2A (0.41) MAPTACVR1OGFRL1
SCHEMBL4679046 0.74 ADORA3 (0.42) ACVR1
SCHEMBL4675375 0.71 MAP4K1 (0.30)
SCHEMBL2453879 0.68 SYK (0.33) SYK
SCHEMBL4675963 0.67 CNR2 (0.34)
SCHEMBL4679150 0.66 CASP3 (0.41) MAPT
SCHEMBL2417828 0.66 HSD11B1 (0.41) SYKMAPT
SCHEMBL4674001 0.65 MAP4K4 (0.41)
SCHEMBL13876916 0.65 CYP3A4 (0.38)
SCHEMBL14026513 0.65 CYP3A4 (0.38)

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