SCHEMBL2103443

SCHEMBL2103443

Fc1cnc(NC2CC2)nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.78
AURKA O14965 2/20 0.61
AURKB Q96GD4 2/20 0.61
ADORA3 P0DMS8 5/20 0.56
BRD4 O60885 1/20 0.56
FLT3 P36888 2/20 0.55
BTK Q06187 1/20 0.55
CCNT1 O60563 1/20 0.54
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
CDK9 P50750 1/20 0.54
IGF1R P08069 1/20 0.54
LRRK2 Q5S007 2/20 0.52
MEN1 O00255 1/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
TTK P33981 1/20 0.51
JAK3 P52333 1/20 0.51
KMT2A Q03164 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
SCHEMBL2100745 0.96 SYK (0.75) SYKAURKAAURKBADORA3BRD4
SCHEMBL2103106 0.91 SYK (0.78) SYKAURKAAURKBADORA3FLT3
SCHEMBL657421 0.88 SYK (1.00) SYKAURKAAURKBFLT3BTK
SCHEMBL12952276 0.87 SYK (0.75) SYKAURKAAURKBADORA3FLT3
SCHEMBL2104876 0.84 SYK (0.67) SYKBRD4
SCHEMBL2103297 0.82 SYK (0.68) SYKBRD4JAK2JAK1JAK3
SCHEMBL27631716 0.81 AURKA (0.56) SYKAURKAAURKBFLT3BTK
SCHEMBL5092384 0.81 SYK (0.73) SYKAURKAAURKBADORA3FLT3
SCHEMBL2103130 0.80 SYK (0.68) SYKBRD4BTKJAK3
SCHEMBL2103715 0.80 SYK (0.75) SYKAURKAAURKBBRD4FLT3

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