SCHEMBL1853038

SCHEMBL1853038

COc1cccc(Nc2nc(N(N)[C@H](C)C(C)C=O)ncc2C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.61
EGFR P00533 1/20 0.56
ITK Q08881 1/20 0.56
PDE4B Q07343 4/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL1849240 0.92 SYK (0.62) SYKEGFRITKPDE4BPDE4A
SCHEMBL1849237 0.92 SYK (0.62) SYKEGFRITKPDE4BPDE4A
SCHEMBL1849391 0.92 SYK (0.57) SYKEGFRITKMAPK8MAPK9
SCHEMBL1847523 0.91 SYK (0.60) SYKEGFRITK
SCHEMBL1352375 0.90 SYK (0.61) SYKEGFRITKPDE4BPDE4A
SCHEMBL1853033 0.90 SYK (0.61) SYKEGFRITKPDE4BPDE4A
SCHEMBL1849688 0.87 SYK (0.58) SYKEGFR
SCHEMBL1852551 0.85 SYK (0.61) SYK
SCHEMBL1851698 0.84 SYK (0.60) SYKPDE4BPDE4APDE4CPDE4D
SCHEMBL1848964 0.83 SYK (0.53) SYK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323993-A2 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS Portola Pharmaceuticals, Inc. (US) 2011-05-25 EP disclosed
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed