SCHEMBL2103481

SCHEMBL2103481

C[C@H]1Oc2ccc(Nc3nc(Cl)ncc3F)cc2NC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ SYK P43405 10/20 0.44
▸ PARP1 P09874 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ KDR P35968 1/20 0.38
▸ BCL6 P41182 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL2101323 1.00 MAOB (0.51) MAOBADORA2ASYKPARP1JAK2
SCHEMBL2103803 0.88 SYK (0.55) MAOBADORA2ASYKJAK2EGFR
SCHEMBL3951884 0.88 MAOB (0.51) MAOBADORA2ASYKPARP1JAK2
SCHEMBL17278002 0.87 MAOB (0.50) MAOBADORA2ASYKPARP1JAK2
SCHEMBL189926 0.85 SYK (0.46) MAOBADORA2ASYKJAK2EGFR
SCHEMBL12212798 0.84 SYK (0.49) MAOBADORA2ASYKPARP1JAK2
SCHEMBL2101275 0.83 CYP3A4 (0.48) MAOBADORA2ASYKJAK2EGFR
SCHEMBL2101181 0.83 SYK (0.47) MAOBADORA2ASYKJAK2EGFR
SCHEMBL2100867 0.83 SYK (0.47) MAOBADORA2ASYKJAK2EGFR
SCHEMBL2100735 0.83 BCL6 (0.56) SYKEGFRBCL6NCOR2

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
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