SCHEMBL3838652

SCHEMBL3838652

CNC(=O)C=C1C=CC=C(Nc2ncc(F)c(Nc3cccc(C(F)(F)F)c3)n2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.49
EGFR P00533 10/20 0.47
ITK Q08881 8/20 0.47
CTSC P53634 3/20 0.46
BTK Q06187 1/20 0.45
ZAP70 P43403 1/20 0.43
CAMK1D Q8IU85 1/20 0.43

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
SCHEMBL657554 0.90 SYK (0.50) SYKEGFRITK
SCHEMBL3834043 0.88 EGFR (0.62) SYKEGFRITKBTK
SCHEMBL656581 0.87 EGFR (0.49) SYKEGFRITKBTK
SCHEMBL657968 0.86 EGFR (0.50) SYKEGFRITKBTK
SCHEMBL657843 0.85 SYK (0.40) SYKEGFRITKBTK
SCHEMBL656244 0.85 EGFR (0.45) SYKEGFRITKBTK
SCHEMBL656118 0.83 EGFR (0.47) SYKEGFRITKBTK
SCHEMBL657135 0.82 SYK (0.53) SYKEGFRITKBTK
SCHEMBL3835798 0.82 EGFR (0.42) SYKEGFRITKBTK
SCHEMBL3840173 0.80 SYK (0.46) 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