SCHEMBL5105263

SCHEMBL5105263

CC(=O)N1CCN(c2ccc(Nc3ncc(F)c(N[C@H]4CCN(Cc5ccccc5)C4)n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.57
ALK Q9UM73 2/20 0.57
EGFR P00533 1/20 0.54
BTK Q06187 1/20 0.54
BRD4 O60885 2/20 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
SCHEMBL5105270 1.00 SYK (0.57) SYKALKEGFRBTKBRD4
SCHEMBL5098856 0.92 EGFR (0.52) SYKALKEGFRBTK
SCHEMBL5098852 0.92 EGFR (0.52) SYKALKEGFRBTK
SCHEMBL5098701 0.91 EGFR (0.51) SYKALKEGFRBTKBRD4
SCHEMBL5098694 0.91 EGFR (0.51) SYKALKEGFRBTKBRD4
SCHEMBL5105150 0.90 ALK (0.55) SYKALKEGFRBTKBRD4
SCHEMBL5105153 0.90 ALK (0.55) SYKALKEGFRBTKBRD4
SCHEMBL5104865 0.88 SYK (0.60) SYKEGFRBTK
SCHEMBL5104870 0.88 SYK (0.60) SYKEGFRBTK
SCHEMBL2102260 0.85 SYK (0.75) SYKALKBRD4

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
US-7452879-B2 N4-(1-tert-Butoxycarbonylazetidin-3-yl)-5-fluoro-N2-(4-morpholinophenyl)-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for IgE (\"Fc epsilon RI\") and IgG (\"Fc gamma RI\") antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2008-11-18 US claimed