SCHEMBL2104446

SCHEMBL2104446

COc1cc(Nc2ncc(F)c(Nc3ccc(OC(F)(F)F)c(Cl)c3)n2)cc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.66
BCL6 P41182 8/20 0.59
AURKA O14965 3/20 0.57
NCOR2 Q9Y618 1/20 0.56
CTSC P53634 1/20 0.50
STK17B O94768 1/20 0.50
STK17A Q9UEE5 1/20 0.50
EGFR P00533 1/20 0.49
ITK Q08881 1/20 0.49

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
SCHEMBL2102324 0.91 SYK (0.62) SYKBCL6AURKANCOR2STK17B
SCHEMBL2102001 0.91 BCL6 (0.71) SYKBCL6AURKANCOR2STK17B
SCHEMBL2103260 0.87 SYK (0.64) SYKBCL6AURKANCOR2CTSC
SCHEMBL2104221 0.86 BCL6 (0.63) SYKBCL6AURKANCOR2CTSC
SCHEMBL2103244 0.86 SYK (0.67) SYKBCL6AURKANCOR2EGFR
SCHEMBL655635 0.84 BCL6 (0.80) SYKBCL6AURKANCOR2STK17B
SCHEMBL19654279 0.82 SYK (0.61) SYKAURKACTSCSTK17BSTK17A
SCHEMBL19654277 0.82 SYK (0.61) SYKAURKACTSCSTK17BSTK17A
SCHEMBL656862 0.82 SYK (0.68) SYKAURKA
SCHEMBL3999305 0.82 SYK (0.59) SYKBCL6AURKANCOR2STK17B

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
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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed