SCHEMBL3838404

SCHEMBL3838404

CCOC1CCOc2ccc(Nc3nc(NC4=CC=CC(=CC(=O)NC)C4=O)ncc3F)cc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.49
EGFR P00533 10/20 0.45
ITK Q08881 3/20 0.45
BTK Q06187 3/20 0.39

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
SCHEMBL658177 0.92 SYK (0.48) SYKEGFRITKBTK
SCHEMBL654902 0.89 SYK (0.49) SYKEGFRITKBTK
SCHEMBL657558 0.88 SYK (0.59) SYKEGFRITKBTK
Hydrochloric Acid SCHEMBL656794 0.88 SYK (0.58) SYKEGFRITKBTK
Succinic Acid SCHEMBL657780 0.86 SYK (0.57) SYKEGFRITKBTK
Fumaric Acid SCHEMBL658654 0.85 SYK (0.56) SYKEGFRITKBTK
Maleic Acid SCHEMBL657015 0.85 SYK (0.56) SYKEGFRITKBTK
Citric Acid SCHEMBL656798 0.83 SYK (0.53) SYKEGFRITKBTK
SCHEMBL3839325 0.80 EGFR (0.46) SYKEGFRITKBTK
SCHEMBL3836417 0.79 EGFR (0.55) SYKEGFRITKBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2130541-A2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds Rigel Pharmaceuticals, Inc. (US) 2009-12-09 EP claimed