SCHEMBL2103262

SCHEMBL2103262

COc1ccc(Nc2ncc(F)c(NC3CCC3)n2)cc1Cl

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 12/20 0.80
NCOR2 Q9Y618 2/20 0.58
ULK1 O75385 1/20 0.57
ULK2 Q8IYT8 1/20 0.57
STK17B O94768 1/20 0.54
STK17A Q9UEE5 1/20 0.54
SYK P43405 2/20 0.54
EGFR P00533 3/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
ITK Q08881 1/20 0.49
BTK Q06187 1/20 0.49

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
SCHEMBL3494580 0.90 BCL6 (0.86) BCL6NCOR2ULK1ULK2STK17B
SCHEMBL2104798 0.87 BCL6 (0.60) BCL6ULK1STK17BSTK17ASYK
SCHEMBL3496329 0.87 BCL6 (0.64) BCL6NCOR2ULK1ULK2STK17B
SCHEMBL13253012 0.86 BCL6 (0.66) BCL6NCOR2ULK1ULK2STK17B
SCHEMBL1743271 0.86 BCL6 (0.66) BCL6NCOR2ULK1ULK2STK17B
SCHEMBL2101164 0.86 BCL6 (0.59) BCL6ULK1ULK2SYKEGFR
SCHEMBL655635 0.85 BCL6 (0.80) BCL6NCOR2STK17BSTK17ASYK
SCHEMBL3495768 0.85 BCL6 (0.69) BCL6NCOR2ULK1ULK2STK17B
SCHEMBL3494019 0.85 BCL6 (0.62) BCL6NCOR2ULK1ULK2STK17B
SCHEMBL3495051 0.84 BCL6 (0.63) BCL6NCOR2ULK1ULK2STK17B

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