SCHEMBL2104764

SCHEMBL2104764

COC(=O)c1ccc(Cn2ncc3ccc(Nc4ncc(F)c(Nc5ccc6c(c5)NC(=O)C(C)(C)O6)n4)cc32)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.58
JAK2 O60674 2/20 0.46
EGFR P00533 2/20 0.46
LCK P06239 2/20 0.46
LYN P07948 2/20 0.46
FGFR4 P22455 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TYRO3 Q06418 2/20 0.46
JAK1 P23458 2/20 0.46
JAK3 P52333 2/20 0.46
PLK4 O00444 2/20 0.46
AURKA O14965 2/20 0.46
STK16 O75716 2/20 0.46
RET P07949 2/20 0.46
FLT3 P36888 2/20 0.46
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
MST1R Q04912 2/20 0.46
PTK2 Q05397 2/20 0.46
TNK1 Q13470 2/20 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
SCHEMBL658131 0.85 SYK (0.56) SYKEGFR
SCHEMBL658051 0.82 SYK (0.60) SYKAURKA
SCHEMBL2101029 0.80 SYK (0.67) SYKJAK2EGFRLCKLYN
SCHEMBL2100833 0.80 SYK (0.87) SYKJAK2EGFRLCKLYN
SCHEMBL2105586 0.80 SYK (0.87) SYKJAK2EGFRLCKLYN
SCHEMBL2103087 0.80 SYK (0.65) SYKJAK2EGFRLCKLYN
SCHEMBL2102999 0.79 SYK (0.74) SYKJAK2EGFRLCKLYN
SCHEMBL2104350 0.78 SYK (0.59) SYKEGFRPTK2
SCHEMBL14837327 0.77 SYK (0.74) SYKJAK2EGFRLCKLYN
SCHEMBL1380946 0.76 SYK (0.67) SYKJAK2EGFRLCKLYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US claimed
EP-2130541-A2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds Rigel Pharmaceuticals, Inc. (US) 2009-12-09 EP claimed
US-8557806-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-7825116-B2 -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed