SCHEMBL21338050

SCHEMBL21338050

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N)cc3)ncc2OC)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.68
JAK3 P52333 1/20 0.68
EGFR P00533 16/20 0.68
ITK Q08881 5/20 0.68

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
SCHEMBL19976710 0.92 BTK (0.69) BTKJAK3EGFRITK
SCHEMBL12519542 0.91 EGFR (0.79) BTKJAK3EGFRITK
SCHEMBL12519536 0.89 EGFR (0.82) BTKJAK3EGFRITK
SCHEMBL21338051 0.88 ITK (0.68) BTKJAK3EGFRITK
SCHEMBL16370821 0.87 EGFR (0.65) BTKJAK3EGFRITK
SCHEMBL30672892 0.87 EGFR (0.65) BTKJAK3EGFRITK
SCHEMBL16370711 0.87 EGFR (0.62) BTKJAK3EGFRITK
SCHEMBL30672900 0.87 EGFR (0.62) BTKJAK3EGFRITK
SCHEMBL16706331 0.86 BTK (0.62) BTKJAK3EGFRITK
SCHEMBL21338057 0.85 EGFR (0.72) BTKJAK3EGFRITK

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-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 EP disclosed