SCHEMBL2104221

SCHEMBL2104221

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 9/20 0.63
NCOR2 Q9Y618 1/20 0.60
SYK P43405 6/20 0.59
AURKA O14965 2/20 0.55
PTK2 Q05397 1/20 0.54
JAK2 O60674 1/20 0.52
CYP3A4 P08684 1/20 0.52
JAK1 P23458 1/20 0.52
JAK3 P52333 1/20 0.52
CTSC P53634 1/20 0.51
STK17B O94768 1/20 0.51
STK17A Q9UEE5 1/20 0.51

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
SCHEMBL2102001 0.91 BCL6 (0.71) BCL6NCOR2SYKAURKASTK17B
SCHEMBL655635 0.87 BCL6 (0.80) BCL6NCOR2SYKAURKASTK17B
SCHEMBL2104446 0.86 SYK (0.66) BCL6NCOR2SYKAURKACTSC
SCHEMBL2101082 0.84 BCL6 (0.72) BCL6NCOR2SYKAURKASTK17B
SCHEMBL2102179 0.84 BCL6 (0.72) BCL6NCOR2SYKAURKASTK17B
SCHEMBL2100643 0.84 BCL6 (0.72) BCL6NCOR2SYKAURKASTK17B
SCHEMBL2101820 0.83 BCL6 (0.55) BCL6SYKAURKAJAK2CYP3A4
SCHEMBL2102021 0.83 BCL6 (0.71) BCL6NCOR2SYKAURKASTK17B
SCHEMBL2103957 0.83 BCL6 (0.71) BCL6NCOR2SYKAURKASTK17B
SCHEMBL2103244 0.82 SYK (0.67) BCL6NCOR2SYKAURKA

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