SCHEMBL6016121

SCHEMBL6016121

C[N+](C)(CCO)C(=O)c1cc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc2o1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SYK P43405 19/20 0.70
AURKA O14965 1/20 0.50

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
SCHEMBL656381 0.85 SYK (0.72) SYKAURKA
SCHEMBL655893 0.84 SYK (0.73) SYKAURKA
SCHEMBL656831 0.84 SYK (0.76) SYKAURKA
SCHEMBL655767 0.84 SYK (0.73) SYKAURKA
SCHEMBL656069 0.84 SYK (0.78) SYKAURKA
SCHEMBL29794700 0.83 SYK (1.00) SYKAURKA
SCHEMBL656395 0.83 SYK (1.00) SYKAURKA
SCHEMBL3861538 0.81 SYK (0.77) SYKAURKA
SCHEMBL6016189 0.81 SYK (0.73) SYKAURKA
SCHEMBL655762 0.80 SYK (0.68) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2827890-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR The University of Queensland (AU) 2015-01-28 EP disclosed
WO-2013138871-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2013-09-26 WO disclosed
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