SCHEMBL4673036

SCHEMBL4673036

COc1nc(N2C(C)CCC2C)c(N)cc1N

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
JAK3 P52333 1/20 0.34
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
PIK3CA P42336 1/20 0.31

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
SCHEMBL2267089 0.75 HTR2A (0.43) JAK3
SCHEMBL4679150 0.73 CASP3 (0.41) MAPTCASP1
SCHEMBL4673620 0.73 CDK1 (0.33) MAPTCASP1
SCHEMBL4864975 0.72 MAPT (0.44) MAPTCASP1AURKATTKAURKB
SCHEMBL33961 0.72 MAPT (0.44) MAPTCASP1AURKATTKAURKB
SCHEMBL4677485 0.72 CHUK (0.39) CASP1
Hydrochloric Acid SCHEMBL970834 0.70 MAPT (0.42) MAPTCASP1AURKATTKAURKB
Hydrochloric Acid SCHEMBL2479718 0.70 MAPT (0.42) MAPTCASP1AURKATTKAURKB
SCHEMBL4674001 0.70 MAP4K4 (0.41) JAK3
SCHEMBL4679046 0.69 ADORA3 (0.42)

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