SCHEMBL27612833

SCHEMBL27612833

COc1ccc(Nc2ncc(F)c(Nc3ccc(OC(C)C)cc3)n2)cc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.68
AURKA O14965 6/20 0.56
EGFR P00533 1/20 0.52
ITK Q08881 1/20 0.52
BCL6 P41182 1/20 0.52
MAPK8 P45983 2/20 0.51
CDC7 O00311 1/20 0.51
ALK Q9UM73 1/20 0.51
MAPK9 P45984 1/20 0.51
GSK3A P49840 1/20 0.50
GSK3B P49841 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
SCHEMBL27631920 0.93 SYK (0.68) SYKAURKAEGFRITKBCL6
SCHEMBL656442 0.90 EGFR (0.61) SYKAURKAEGFRITKBCL6
SCHEMBL27631462 0.83 AURKA (0.70) SYKAURKAEGFRITKMAPK8
SCHEMBL655466 0.82 SYK (1.00) SYKAURKAITKMAPK8MAPK9
SCHEMBL657532 0.82 EGFR (0.61) SYKAURKAEGFRITKMAPK8
SCHEMBL656368 0.82 EGFR (0.61) SYKAURKAEGFRITKBCL6
SCHEMBL655117 0.77 SYK (0.64) SYKAURKAEGFRITKMAPK8
SCHEMBL654783 0.77 SYK (0.78) SYKAURKAEGFRITKMAPK8
SCHEMBL655501 0.77 SYK (0.67) SYKAURKAEGFRITK
SCHEMBL655796 0.77 SYK (0.67) SYKAURKAEGFRITK

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