SCHEMBL2785489

SCHEMBL2785489

COc1cc(Nc2nc(Nc3ccc4c(c3)C(N)=CCO4)ncc2F)cc(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.71
AURKA O14965 4/20 0.53
EGFR P00533 1/20 0.44

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
SCHEMBL2102544 1.00 SYK (0.71) SYKAURKAEGFR
SCHEMBL2100656 0.88 SYK (0.55) SYKAURKA
SCHEMBL2104254 0.86 BCL6 (0.58) SYKEGFR
SCHEMBL2104279 0.84 SYK (0.50) SYKAURKAEGFR
SCHEMBL2100651 0.84 SYK (0.50) SYKAURKAEGFR
SCHEMBL656736 0.83 SYK (1.00) SYKAURKAEGFR
SCHEMBL31294190 0.83 SYK (1.00) SYKAURKAEGFR
SCHEMBL655683 0.83 SYK (0.71) SYKAURKAEGFR
SCHEMBL2103251 0.81 SYK (0.72) SYKEGFR
SCHEMBL2103244 0.75 SYK (0.67) SYKAURKAEGFR

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 3 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