SCHEMBL2103980

SCHEMBL2103980

COc1cc(Nc2nc(Nc3ccc(C(N)=O)cc3)ncc2F)cc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.70
JAK2 O60674 2/20 0.70
AURKB Q96GD4 2/20 0.70
SYK P43405 7/20 0.65
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
EGFR P00533 1/20 0.54

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
SCHEMBL27631966 0.83 AURKA (0.74) AURKAJAK2AURKBSYKGSK3A
SCHEMBL1198526 0.83 AURKA (0.64) AURKAJAK2AURKBSYKGSK3A
SCHEMBL19346838 0.83 AURKA (1.00) AURKAJAK2AURKBSYKGSK3A
SCHEMBL14607313 0.82 SYK (0.67) AURKASYKEGFR
SCHEMBL5263108 0.82 AURKA (0.79) AURKAJAK2AURKBSYKGSK3A
SCHEMBL1198129 0.81 SYK (0.78) AURKAJAK2AURKBSYKGSK3A
SCHEMBL2102730 0.81 AURKA (0.54) AURKASYKGSK3AGSK3BEGFR
SCHEMBL1196984 0.81 SYK (0.74) AURKAJAK2AURKBSYK
SCHEMBL14607296 0.80 AURKA (0.61) AURKASYKEGFR
SCHEMBL14607328 0.80 AURKA (0.66) AURKAJAK2AURKBSYKGSK3A

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