SCHEMBL2105375

SCHEMBL2105375

CCN(CC)CCCNc1ncc(F)c(Nc2cc(OC)cc(OC)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 5/20 0.55
SYK P43405 7/20 0.53
AURKA O14965 3/20 0.48
FGFR1 P11362 3/20 0.47
FGFR2 P21802 3/20 0.47
FGFR4 P22455 3/20 0.47
FGFR3 P22607 3/20 0.47
KDR P35968 3/20 0.47
FLT1 P17948 2/20 0.47
FLT4 P35916 2/20 0.47
GLA P06280 1/20 0.45
SRC P12931 1/20 0.45
CSK P41240 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
FLT3 P36888 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
EGFR P00533 1/20 0.42

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 SCHEMBL2105376 0.81 SYK (0.53) BCL6SYKAURKANCOR2EGFR
SCHEMBL2104075 0.81 BCL6 (0.63) BCL6SYKFGFR1FGFR2FGFR4
SCHEMBL14607296 0.77 AURKA (0.61) SYKAURKAEGFR
SCHEMBL2101071 0.72 BCL6 (0.46) BCL6SYKFGFR1FGFR2FGFR4
SCHEMBL20752074 0.71 SYK (0.64) SYKAURKAFGFR1FGFR3KDR
SCHEMBL2103244 0.71 SYK (0.67) BCL6SYKAURKANCOR2EGFR
SCHEMBL2103005 0.71 BCL6 (0.45) BCL6SYKFGFR1FGFR2FGFR4
SCHEMBL14607313 0.70 SYK (0.67) SYKAURKAEGFR
SCHEMBL655148 0.70 SYK (0.54) BCL6SYKAURKAKMT2ANCOR2
SCHEMBL3447342 0.70 IGF1R (0.54) SYKFLT3

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