SCHEMBL27612445

SCHEMBL27612445

CNC(=O)Oc1cccc(Nc2ncc(F)c(Nc3cccc(C(=O)c4ccccc4)c3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.63
EGFR P00533 3/20 0.58
ITK Q08881 1/20 0.58
AURKA O14965 3/20 0.55
BTK Q06187 1/20 0.54

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
SCHEMBL27631873 0.90 SYK (0.65) SYKEGFRITKAURKABTK
SCHEMBL27612448 0.90 SYK (0.64) SYKEGFRITKAURKA
SCHEMBL656540 0.87 AURKA (0.69) SYKEGFRITKAURKABTK
SCHEMBL27612806 0.86 SYK (0.67) SYKAURKA
SCHEMBL27631681 0.85 AURKA (0.74) SYKAURKA
SCHEMBL655756 0.83 SYK (0.72) SYKEGFRITKAURKA
SCHEMBL27631904 0.82 SYK (0.62) SYKAURKA
SCHEMBL656788 0.82 SYK (0.65) SYKEGFRITKAURKA
SCHEMBL28757141 0.82 SYK (0.61) SYKAURKA
SCHEMBL27631528 0.81 SYK (0.78) SYKEGFR

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