SCHEMBL2745583

SCHEMBL2745583

CN1C(=O)COc2ccc(Nc3nc(Nc4ccc(-c5ncco5)cc4)ncc3F)cc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.51
GRM4 Q14833 1/20 0.47
EGFR P00533 8/20 0.46
ITK Q08881 4/20 0.46

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
SCHEMBL2745372 0.93 SYK (0.46) SYKEGFRITK
SCHEMBL2745715 0.85 EGFR (0.60) SYKEGFRITK
SCHEMBL2746250 0.85 SYK (0.57) SYKGRM4EGFRITK
SCHEMBL3997103 0.82 SYK (0.55) SYKGRM4EGFRITK
SCHEMBL2746000 0.81 SYK (0.67) SYKEGFR
SCHEMBL657079 0.81 SYK (0.67) SYKEGFRITK
SCHEMBL656576 0.81 SYK (0.67) SYKEGFRITK
SCHEMBL2745158 0.80 SYK (0.58) SYKEGFR
SCHEMBL2746013 0.78 SYK (0.57) SYKEGFRITK
SCHEMBL4004638 0.78 JAK1 (0.57) SYKEGFRITK

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