SCHEMBL2105563

SCHEMBL2105563

CCOC(=O)CCN1Cc2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KDM4E B2RXH2 2/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL2100665 0.81 TNF (0.50) MAPTKDM4ERAB9ALMNAALDH1A1
SCHEMBL657283 0.76 MAPT (0.47) MAPTKDM4EIRAK4SMN1; SMN2RAB9A
SCHEMBL8607230 0.76 DRD2 (0.53) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL3797765 0.76 MAPT (0.47) MAPTKDM4EIRAK4SMN1; SMN2RAB9A
SCHEMBL8607529 0.75 MAPT (0.46) MAPTKDM4EIRAK4KCNJ1KCNH2
SCHEMBL656093 0.73 MAPT (0.47) MAPTKDM4EIRAK4SMN1; SMN2RAB9A
SCHEMBL8606014 0.73 MAPT (0.44) MAPTKDM4EIRAK4KCNJ1KCNH2
SCHEMBL15910713 0.72 PNMT (0.39) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL654959 0.72 ALDH1A1 (0.45) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3320170 0.70 MEN1 (0.44) MAPTKDM4ESMN1; SMN2RAB9ALMNA

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-2316459-B1 2,4-pyrimidinediamine compounds for use in methods of treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS INC (US) 2013-11-06 EP disclosed
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