SCHEMBL2105984

SCHEMBL2105984

COC(=O)c1ccc(Cn2cc3ccc(Nc4ncc(F)c(Nc5ccc(OC)c(Cl)c5)n4)cc3n2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.52
BCL6 P41182 10/20 0.51
NCOR2 Q9Y618 1/20 0.49
PTK2 Q05397 1/20 0.47
EGFR P00533 6/20 0.45
BTK Q06187 2/20 0.44
ITK Q08881 2/20 0.44

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
SCHEMBL2102607 0.96 SYK (0.47) SYKBCL6NCOR2PTK2EGFR
SCHEMBL657154 0.89 SYK (0.51) SYK
SCHEMBL656478 0.88 SYK (0.51) SYKEGFRBTKITK
SCHEMBL655406 0.87 SYK (0.53) SYKEGFRBTK
SCHEMBL14607330 0.81 BCL6 (0.66) SYKBCL6NCOR2PTK2EGFR
SCHEMBL2105985 0.81 BCL6 (0.50) SYKBCL6NCOR2PTK2EGFR
SCHEMBL2103406 0.79 BCL6 (0.66) SYKBCL6NCOR2PTK2EGFR
SCHEMBL2102609 0.76 SYK (0.45) SYKBCL6NCOR2PTK2EGFR
SCHEMBL655635 0.76 BCL6 (0.80) SYKBCL6NCOR2EGFR
SCHEMBL656986 0.74 TLR7 (0.47)

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 8 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-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US 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