SCHEMBL2103609

SCHEMBL2103609

COC(=O)N1CCN(c2ccc(Nc3ncc(F)c(NC4CCC4)n3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.71
ALK Q9UM73 2/20 0.63
BRD4 O60885 1/20 0.57
JAK2 O60674 1/20 0.57
JAK1 P23458 1/20 0.57
JAK3 P52333 1/20 0.57

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
SCHEMBL2101427 0.96 SYK (0.76) SYKALKBRD4JAK2JAK1
SCHEMBL2103412 0.93 SYK (0.63) SYKALKBRD4
SCHEMBL2102254 0.90 SYK (0.76) SYKALK
SCHEMBL12952133 0.90 SYK (0.60) SYKALKBRD4JAK2JAK1
Hydrochloric Acid SCHEMBL27662243 0.90 SYK (0.75) SYKALK
SCHEMBL2103297 0.89 SYK (0.68) SYKALKBRD4JAK2JAK1
SCHEMBL12952095 0.89 SYK (0.76) SYKALKBRD4
SCHEMBL2102260 0.86 SYK (0.75) SYKALKBRD4
SCHEMBL12952140 0.84 SYK (0.68) SYKALKBRD4JAK2
SCHEMBL5105140 0.84 BRD4 (0.61) SYKALKBRD4JAK2JAK1

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 6 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