SCHEMBL2104443

SCHEMBL2104443

NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(F)(F)O4)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.64
JAK2 O60674 3/20 0.64
EGFR P00533 2/20 0.64
LCK P06239 1/20 0.64
LYN P07948 1/20 0.64
FGFR4 P22455 1/20 0.64
AURKA O14965 7/20 0.59
AURKB Q96GD4 2/20 0.59
JAK1 P23458 2/20 0.56
JAK3 P52333 2/20 0.56
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48

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
SCHEMBL658283 0.85 SYK (0.73) SYKJAK2EGFRLCKLYN
SCHEMBL2785795 0.85 SYK (0.73) SYKJAK2EGFRLCKLYN
SCHEMBL657903 0.84 SYK (0.71) SYKJAK2EGFRLCKLYN
SCHEMBL2103112 0.84 SYK (0.62) SYKJAK2EGFRLCKLYN
SCHEMBL2104573 0.84 SYK (0.62) SYKJAK2EGFRLCKLYN
SCHEMBL2100628 0.82 AURKA (0.57) SYKJAK2EGFRLCKLYN
SCHEMBL3837612 0.82 SYK (0.73) SYKJAK2EGFRLCKLYN
SCHEMBL2103303 0.82 SYK (0.67) SYKJAK2EGFRLCKLYN
SCHEMBL2101538 0.82 SYK (0.69) SYKJAK2EGFRLCKLYN
SCHEMBL2104157 0.82 SYK (0.64) 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 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