SCHEMBL2103106

SCHEMBL2103106

Fc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.78
AURKA O14965 2/20 0.64
AURKB Q96GD4 2/20 0.64
ADORA3 P0DMS8 6/20 0.61
CCNT1 O60563 1/20 0.60
CCNE1 P24864 1/20 0.60
CDK2 P24941 1/20 0.60
CDK9 P50750 1/20 0.60
LRRK2 Q5S007 2/20 0.57
FLT3 P36888 1/20 0.57
BTK Q06187 1/20 0.57
IGF1R P08069 1/20 0.56
TNK2 Q07912 1/20 0.56
MEN1 O00255 1/20 0.56
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
TYK2 P29597 1/20 0.56
TTK P33981 1/20 0.56
JAK3 P52333 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL12952276 0.96 SYK (0.75) SYKAURKAAURKBADORA3CCNT1
SCHEMBL2103443 0.91 SYK (0.78) SYKAURKAAURKBADORA3CCNT1
SCHEMBL5092384 0.90 SYK (0.73) SYKAURKAAURKBADORA3CCNT1
SCHEMBL657421 0.88 SYK (1.00) SYKAURKAAURKBCCNT1CCNE1
SCHEMBL2100745 0.87 SYK (0.75) SYKAURKAAURKBADORA3CCNT1
SCHEMBL12952410 0.84 CCNT1 (0.75) SYKAURKAAURKBADORA3CCNT1
SCHEMBL2102260 0.84 SYK (0.75) SYK
SCHEMBL12952140 0.84 SYK (0.68) SYKAURKAFLT3BTKTNK2
SCHEMBL5104865 0.83 SYK (0.60) SYKAURKAAURKBCCNT1CCNE1
SCHEMBL5104870 0.83 SYK (0.60) SYKAURKAAURKBCCNT1CCNE1

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
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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed