SCHEMBL2102251

SCHEMBL2102251

Fc1cc(Nc2nc(Cl)ncc2F)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.50
AURKA O14965 3/20 0.46
BCL6 P41182 4/20 0.46
RAPGEF4 Q8WZA2 1/20 0.45
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
KDR P35968 1/20 0.43
KMT2A Q03164 1/20 0.43
CDK1 P06493 1/20 0.43

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
SCHEMBL28457090 0.91 RAPGEF4 (0.45) SYKAURKABCL6RAPGEF4KCNQ3
SCHEMBL653915 0.91 SYK (0.50) SYKAURKABCL6ALDH1A1L3MBTL1
SCHEMBL656737 0.89 SYK (0.55) SYKAURKABCL6ALDH1A1L3MBTL1
SCHEMBL2103491 0.88 SYK (0.54) SYKBCL6KDR
SCHEMBL16012247 0.87 TDO2 (0.44) SYKRAPGEF4KCNQ3KCNQ2KCNE1
SCHEMBL264236 0.87 RAPGEF4 (0.52) SYKAURKARAPGEF4KCNQ3KCNQ2
SCHEMBL654408 0.84 ALDH1A1 (0.47) SYKAURKABCL6RAPGEF4ALDH1A1
SCHEMBL654346 0.83 BCL6 (0.58) SYKAURKABCL6NCOR2KDR
SCHEMBL655628 0.82 AURKA (0.54) SYKAURKABCL6ALDH1A1L3MBTL1
SCHEMBL654379 0.82 SYK (0.51) SYKAURKABCL6ALDH1A1L3MBTL1

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