SCHEMBL2104975

SCHEMBL2104975

CC(=O)Nc1cccc(Nc2nc(Cl)ncc2F)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
MAPK8 P45983 1/20 0.43
KMT2A Q03164 3/20 0.41
PTK2 Q05397 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
JAK2 O60674 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TGFBR1 P36897 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SYK P43405 1/20 0.38
GRM5 P41594 1/20 0.38
EGFR P00533 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL1036047 0.81 EGFR (0.53) KDM4EKMT2AMEN1ALDH1A1AURKA
SCHEMBL5305839 0.80 AURKA (0.42) LMNAMAPK8JAK2AURKAAURKB
SCHEMBL655369 0.80 GRM5 (0.49) KMT2AALDH1A1AURKAL3MBTL1SYK
SCHEMBL1221669 0.78 AURKA (0.43) MAPK8ALDH1A1JAK2AURKAAURKB
SCHEMBL2104177 0.78 AURKA (0.60) MAPK8PTK2JAK2AURKAAURKB
SCHEMBL2102611 0.77 BCL6 (0.43) MAPK8KMT2APTK2ALDH1A1JAK2
SCHEMBL2100841 0.76 SYK (0.59) AURKASYKEGFR
SCHEMBL821844 0.73 KDM4E (0.71) KDM4ELMNAMAPK8KMT2AMEN1
SCHEMBL14999159 0.72 SYK (0.42) KDM4EKMT2AMEN1ALDH1A1AURKA
SCHEMBL421678 0.72 ALDH1A1 (0.69) KDM4ELMNAMAPK8KMT2APTK2

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
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