SCHEMBL28757166

SCHEMBL28757166

O=C(C=Nc1cccc(Nc2ncc(F)c(Nc3ccc4c(c3)OCCO4)n2)c1)N=CCC1CNCCO1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.52
SYK P43405 12/20 0.49
ITK Q08881 3/20 0.45
BTK Q06187 3/20 0.43
BMX P51813 1/20 0.42

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
SCHEMBL655719 0.80 EGFR (0.68) EGFRSYKITKBTK
SCHEMBL655718 0.80 EGFR (0.68) EGFRSYKITKBTK
SCHEMBL655883 0.80 EGFR (0.67) EGFRSYKITKBTK
SCHEMBL660419 0.79 EGFR (0.60) EGFRSYKITKBTKBMX
SCHEMBL660418 0.79 EGFR (0.60) EGFRSYKITKBTKBMX
SCHEMBL658785 0.78 EGFR (0.67) EGFRSYKITKBTK
SCHEMBL654535 0.77 SYK (0.61) EGFRSYKITKBTK
SCHEMBL654536 0.77 SYK (0.61) EGFRSYKITKBTK
SCHEMBL28757175 0.77 SYK (0.48) EGFRSYKITKBTK
SCHEMBL655867 0.76 EGFR (0.64) EGFRSYKITKBTKBMX

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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed