SCHEMBL2104075

SCHEMBL2104075

CCN(CC)CCCNc1ncc(F)c(Nc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 6/20 0.63
STK17A Q9UEE5 7/20 0.53
STK17B O94768 3/20 0.53
NCOR2 Q9Y618 1/20 0.52
FGFR1 P11362 2/20 0.47
EGFR P00533 1/20 0.45
SRC P12931 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
SYK P43405 2/20 0.45
CCR4 P51679 1/20 0.45
JAK3 P52333 1/20 0.45

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
Diethylamine SCHEMBL2104077 0.83 BCL6 (0.62) BCL6STK17ASTK17BNCOR2EGFR
SCHEMBL2105375 0.81 BCL6 (0.55) BCL6NCOR2FGFR1EGFRSRC
SCHEMBL3287092 0.81 STK17A (0.58) STK17ASTK17B
SCHEMBL14607342 0.80 AURKA (0.62) JAK3
SCHEMBL2101071 0.78 BCL6 (0.46) BCL6NCOR2FGFR1EGFRSRC
SCHEMBL10887063 0.77 KDM4E (0.54) CCR4
SCHEMBL2103005 0.77 BCL6 (0.45) BCL6NCOR2FGFR1EGFRSRC
SCHEMBL1916655 0.75 STK17A (0.53) STK17ASTK17BJAK3
SCHEMBL19900277 0.73 STK17A (0.48) BCL6STK17ASTK17BFGFR1
SCHEMBL10892542 0.72 SMN1; SMN2 (0.50) EGFRCCR4

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