SCHEMBL3840173

SCHEMBL3840173

CNC(=O)C=C1C=CC=C(Nc2ncc(F)c(Nc3ccc(OC(F)(F)F)c(C(=O)OC)c3)n2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.46
EGFR P00533 15/20 0.45
ITK Q08881 8/20 0.45
PTK2 Q05397 1/20 0.40

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
SCHEMBL657135 0.88 SYK (0.53) SYKEGFRITK
SCHEMBL3834043 0.86 EGFR (0.62) SYKEGFRITK
SCHEMBL656569 0.82 SYK (0.59) SYKEGFRITKPTK2
SCHEMBL657554 0.82 SYK (0.50) SYKEGFRITKPTK2
SCHEMBL657843 0.81 SYK (0.40) SYKEGFRITKPTK2
SCHEMBL656709 0.81 EGFR (0.44) SYKEGFRITK
SCHEMBL3838652 0.80 SYK (0.49) SYKEGFRITK
SCHEMBL657519 0.80 EGFR (0.43) SYKEGFRITK
SCHEMBL656581 0.78 EGFR (0.49) SYKEGFRITK
SCHEMBL657968 0.77 EGFR (0.50) 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