SCHEMBL2104756

SCHEMBL2104756

CC(C)(C)OC(=O)NC1CCC(Oc2ccc(N)cc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
CACNB4 O00305 1/20 0.46
CACNA1A O00555 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNG3 O60359 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNB3 P54284 1/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNG7 P62955 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNB1 Q02641 1/20 0.46
CACNG1 Q06432 1/20 0.46
CACNB2 Q08289 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
CACNA1E Q15878 1/20 0.46
CACNA2D4 Q7Z3S7 1/20 0.46
CACNA2D3 Q8IZS8 1/20 0.46

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
SCHEMBL29730675 0.86 KDM1A (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL21663433 0.86 PDE4B (0.51) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL13419727 0.86 GPR119 (0.45) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL360310 0.84 CACNB4 (0.50) RORCCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL2103528 0.83 DRD2 (0.51) RORCCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL29865119 0.82 RORC (0.43) RORCKDM1APDE4BEPHX2
SCHEMBL13419738 0.80 ALDH1A1 (0.56) DRD2DRD3SUV39H2
SCHEMBL29730826 0.79 CACNB4 (0.38) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL27751074 0.79 RORC (0.49) RORC
SCHEMBL21663914 0.78 BTK (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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 7 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-101370812-A Fused heterocyclic compound TAKEDA PHARMACEUTICAL (JP) 2009-02-18 CN 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