SCHEMBL2103210

SCHEMBL2103210

Cn1ncc2ccc(Nc3nc(Cl)ncc3F)cc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.52
CYP1A2 P05177 2/20 0.50
GRM4 Q14833 2/20 0.50
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
BCL6 P41182 5/20 0.42
TRPM5 Q9NZQ8 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
PIP4K2A P48426 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL655083 0.90 SYK (0.63) SYKCYP1A2GRM4BRD4CREBBP
SCHEMBL2103355 0.84 SYK (0.59) SYKBCL6NCOR2
SCHEMBL2103921 0.84 SYK (0.59) SYKBCL6NCOR2
SCHEMBL2101400 0.82 SYK (0.62) SYK
SCHEMBL654426 0.81 SYK (0.60) SYKBCL6NCOR2
SCHEMBL2102227 0.80 BCL6 (0.67) SYKBCL6NCOR2
SCHEMBL21341799 0.79 SYK (0.47) SYKBCL6
SCHEMBL2103926 0.78 SYK (0.58) SYKBCL6
SCHEMBL2101797 0.78 SYK (0.57) SYKBCL6NCOR2
SCHEMBL2100812 0.78 SYK (0.61) SYKBRD4

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 5 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