SCHEMBL2104147

SCHEMBL2104147

COC(=O)N1CCN(c2ccc(Nc3nc(Cl)ncc3F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.57
ALK Q9UM73 9/20 0.56
BRD4 O60885 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CCNK O75909 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCND3 P30281 1/20 0.48
CDK9 P50750 1/20 0.48
CDK6 Q00534 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
FLT3 P36888 1/20 0.47
BTK Q06187 1/20 0.47

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
SCHEMBL26620009 0.90 CCND3 (0.58) SYKALKBRD4MAPTSMN1; SMN2
SCHEMBL2105463 0.89 SYK (0.67) SYKALKBRD4
SCHEMBL2103297 0.84 SYK (0.68) SYKALKBRD4
SCHEMBL2103412 0.82 SYK (0.63) SYKALKBRD4
SCHEMBL2101427 0.80 SYK (0.76) SYKALKBRD4BTK
SCHEMBL2103715 0.79 SYK (0.75) SYKBRD4MAPTSMN1; SMN2CCNK
SCHEMBL16752995 0.79 ALK (0.81) SYKALKMAPTKMT2A
SCHEMBL16752974 0.79 ALK (0.78) ALK
SCHEMBL2103609 0.78 SYK (0.71) SYKALKBRD4
SCHEMBL26619923 0.78 DDB1 (0.51) SYKALKMAPTSMN1; SMN2CCNK

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