SCHEMBL6016370

SCHEMBL6016370

CCCC(O)C(C)(C)c1ccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.63
AURKA O14965 3/20 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
SCHEMBL654520 0.82 SYK (0.74) SYKAURKA
R-112 SCHEMBL29360016 0.79 SYK (1.00) SYKAURKA
R-112 SCHEMBL655935 0.79 SYK (1.00) SYKAURKA
R-112 SCHEMBL31294216 0.79 SYK (1.00) SYKAURKA
SCHEMBL656378 0.79 SYK (0.67) SYKAURKA
SCHEMBL655791 0.79 SYK (0.67) SYKAURKA
SCHEMBL655691 0.79 SYK (0.79) SYKAURKA
SCHEMBL656111 0.78 SYK (0.76) SYKAURKA
SCHEMBL655902 0.78 SYK (0.77) SYKAURKA
SCHEMBL12567975 0.75 SYK (0.85) 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