SCHEMBL3838434

SCHEMBL3838434

COC(=O)C=C1C=CC=C(Nc2ncc(F)c(Nc3cc(C)c(O)c(Cl)c3)n2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.43
EGFR P00533 12/20 0.41
ITK Q08881 7/20 0.39
BCL6 P41182 2/20 0.38

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
SCHEMBL656887 0.94 SYK (0.42) SYKEGFRITK
SCHEMBL657282 0.88 EGFR (0.45) SYKEGFRITK
SCHEMBL655923 0.77 SYK (0.58) SYKITK
SCHEMBL657843 0.72 SYK (0.40) SYKEGFRITK
SCHEMBL2104234 0.71 BCL6 (0.66) SYKEGFRITKBCL6
SCHEMBL4798452 0.71 AURKA (0.43) SYKEGFRITK
SCHEMBL657554 0.70 SYK (0.50) SYKEGFRITK
SCHEMBL27613085 0.70 EGFR (0.54) SYKEGFRITKBCL6
SCHEMBL656581 0.70 EGFR (0.49) SYKEGFRITK
SCHEMBL657135 0.70 SYK (0.53) SYKEGFRITK

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