SCHEMBL2746290

SCHEMBL2746290

O=C1COc2ccc(Nc3nc(Nc4cccc(-c5ncco5)c4)ncc3F)cc2N1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.72
JAK1 P23458 1/20 0.55
JAK3 P52333 1/20 0.55
EGFR P00533 4/20 0.45
JAK2 O60674 1/20 0.45
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45
FGFR4 P22455 1/20 0.45

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
SCHEMBL2745313 0.93 SYK (0.62) SYKJAK1JAK3EGFR
SCHEMBL2746000 0.93 SYK (0.67) SYKJAK1JAK3EGFRJAK2
SCHEMBL2745650 0.86 SYK (0.56) SYKEGFR
SCHEMBL2745158 0.86 SYK (0.58) SYKJAK1JAK3EGFR
SCHEMBL2746305 0.85 SYK (0.61) SYKJAK1JAK3EGFRJAK2
SCHEMBL2745738 0.85 SYK (0.72) SYKJAK1JAK3EGFRJAK2
SCHEMBL2745787 0.85 SYK (0.51) SYKJAK1JAK3EGFRJAK2
SCHEMBL2745854 0.85 SYK (0.51) SYKEGFRJAK2LCKLYN
SCHEMBL2745338 0.85 SYK (0.63) SYKJAK1JAK3EGFRJAK2
SCHEMBL2746085 0.85 SYK (0.51) SYKJAK1JAK3EGFRJAK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178671-B2 Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine RIGEL PHARMACEUTICALS, INC. (US) 2012-05-15 US claimed