SCHEMBL2103987

SCHEMBL2103987

CCOC(=O)C1(C)Oc2ccc(Nc3nc(Cl)ncc3F)cc2NC1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
SYK P43405 14/20 0.50
JAK2 O60674 1/20 0.48
EGFR P00533 1/20 0.48
LCK P06239 1/20 0.48
LYN P07948 1/20 0.48
FGFR4 P22455 1/20 0.48
JAK1 P23458 2/20 0.40
JAK3 P52333 2/20 0.40
KCNH2 Q12809 1/20 0.38
BCL6 P41182 1/20 0.36

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
SCHEMBL15212398 0.87 SYK (0.51) TRPV1SYKJAK2EGFRLCK
SCHEMBL655687 0.82 SYK (0.64) SYKJAK2EGFRLCKLYN
SCHEMBL15212360 0.80 SYK (0.49) SYKJAK2EGFRLCKLYN
SCHEMBL15212485 0.80 SYK (0.53) SYKJAK2EGFRLCKLYN
SCHEMBL16408462 0.80 SYK (0.46) SYKJAK2EGFRLCKLYN
SCHEMBL656721 0.79 SYK (0.56) SYKJAK2EGFRLCKLYN
SCHEMBL15212509 0.79 SYK (0.47) SYKJAK2EGFRLCKLYN
SCHEMBL13007738 0.78 SYK (0.49) SYKJAK2EGFRLCKLYN
SCHEMBL15212168 0.76 SYK (0.48) TRPV1SYKJAK2EGFRLCK
SCHEMBL15212247 0.76 SYK (0.44) SYKJAK2EGFRLCKLYN

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 5 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