SCHEMBL6016486

SCHEMBL6016486

CCOC(=O)C(C)(Oc1cccc(Nc2nc(Nc3ccc(OC(C)C)cc3)ncc2F)c1)C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.67
EGFR P00533 6/20 0.54
ITK Q08881 5/20 0.54
AURKA O14965 1/20 0.53

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
SCHEMBL3836148 0.87 SYK (0.73) SYKEGFRITKAURKA
SCHEMBL657949 0.84 SYK (0.67) SYKEGFRITKAURKA
SCHEMBL654417 0.84 SYK (0.67) SYKEGFRITKAURKA
SCHEMBL656819 0.81 SYK (0.79) SYKEGFRITKAURKA
SCHEMBL654783 0.78 SYK (0.78) SYKEGFRITKAURKA
SCHEMBL657950 0.78 SYK (0.68) SYKEGFRAURKA
SCHEMBL654418 0.78 SYK (0.68) SYKEGFRAURKA
SCHEMBL655466 0.78 SYK (1.00) SYKITKAURKA
SCHEMBL656035 0.77 SYK (0.73) SYKEGFRITKAURKA
SCHEMBL655791 0.77 SYK (0.67) SYKAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed