SCHEMBL2103566

SCHEMBL2103566

Fc1cnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)nc1Nc1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 7/20 0.59
EGFR P00533 4/20 0.59
NCOR2 Q9Y618 1/20 0.56
SYK P43405 6/20 0.55
AURKA O14965 2/20 0.55
PLK4 O00444 1/20 0.55
PDPK1 O15530 1/20 0.55
JAK2 O60674 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
NTRK1 P04629 1/20 0.55
INSR P06213 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
CDK1 P06493 1/20 0.55
FES P07332 1/20 0.55
CSF1R P07333 1/20 0.55
LYN P07948 1/20 0.55
IGF1R P08069 1/20 0.55
ROS1 P08922 1/20 0.55

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
SCHEMBL2105229 0.90 EGFR (0.54) BCL6EGFRNCOR2ERBB2GRM4
SCHEMBL27631727 0.87 EGFR (0.52) BCL6EGFRNCOR2SYKAURKA
SCHEMBL27631728 0.85 SYK (0.64) EGFRSYKAURKA
SCHEMBL654013 0.85 SYK (0.53) SYKAURKAPLK4PDPK1JAK2
SCHEMBL655635 0.81 BCL6 (0.80) BCL6EGFRNCOR2SYKAURKA
SCHEMBL1198195 0.81 SYK (0.67) BCL6EGFRNCOR2SYKAURKA
SCHEMBL655114 0.81 SYK (0.72) EGFRSYKAURKAPLK4PDPK1
SCHEMBL5029023 0.80 PTK6 (0.56) EGFRSLKERBB2GRM4
SCHEMBL656032 0.78 SYK (0.72) BCL6SYKAURKAPLK4PDPK1
SCHEMBL657386 0.78 SYK (0.71) BCL6EGFRNCOR2SYKAURKA

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
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-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