SCHEMBL2103370

SCHEMBL2103370

CN(C)C(=O)C1Cc2cc(Nc3ncc(F)c(Nc4ccc5c(c4)NC(=O)C(F)(F)O5)n3)ccc2O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.58
EGFR P00533 4/20 0.58
JAK2 O60674 2/20 0.58
LCK P06239 2/20 0.58
LYN P07948 2/20 0.58
FGFR4 P22455 2/20 0.58
JAK1 P23458 3/20 0.49
JAK3 P52333 3/20 0.49
AURKA O14965 2/20 0.40
CDK2 P24941 3/20 0.39
BMPR1B O00238 1/20 0.39
CDC7 O00311 1/20 0.39
PIK3CD O00329 1/20 0.39
PLK4 O00444 1/20 0.39
STK25 O00506 1/20 0.39
CIT O14578 1/20 0.39
RIOK3 O14730 1/20 0.39
CHEK1 O14757 1/20 0.39
IKBKB O14920 1/20 0.39
GAK O14976 1/20 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
SCHEMBL2104247 0.90 SYK (0.62) SYKEGFRJAK2LCKLYN
SCHEMBL2787586 0.81 SYK (0.51) SYKEGFRJAK2LCKLYN
SCHEMBL658283 0.79 SYK (0.73) SYKEGFRJAK2LCKLYN
SCHEMBL2785795 0.79 SYK (0.73) SYKEGFRJAK2LCKLYN
SCHEMBL2103504 0.79 BCL6 (0.53) SYKEGFRPTK2BTKITK
SCHEMBL4007247 0.79 SYK (0.55) SYKEGFRJAK2LCKLYN
SCHEMBL29557146 0.79 SYK (0.55) SYKEGFRJAK2LCKLYN
SCHEMBL2104443 0.78 SYK (0.64) SYKEGFRJAK2LCKLYN
SCHEMBL3996142 0.78 EGFR (0.46) SYKEGFRJAK2LCKLYN
SCHEMBL29557192 0.78 EGFR (0.46) SYKEGFRJAK2LCKLYN

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US 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