SCHEMBL21338051

SCHEMBL21338051

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(NC4CC4)cc3)ncc2OC)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 8/20 0.68
BTK Q06187 2/20 0.67
JAK3 P52333 1/20 0.67
EGFR P00533 14/20 0.63

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
SCHEMBL16371083 0.89 EGFR (0.61) ITKBTKJAK3EGFR
SCHEMBL16371085 0.89 EGFR (0.61) ITKBTKJAK3EGFR
SCHEMBL19976710 0.89 BTK (0.69) ITKBTKJAK3EGFR
SCHEMBL21338050 0.88 BTK (0.68) ITKBTKJAK3EGFR
SCHEMBL12519542 0.88 EGFR (0.79) ITKBTKJAK3EGFR
SCHEMBL16698313 0.87 EGFR (0.57) ITKBTKJAK3EGFR
SCHEMBL16698117 0.87 ITK (0.56) ITKBTKJAK3EGFR
SCHEMBL16391060 0.87 EGFR (0.57) ITKBTKJAK3EGFR
SCHEMBL16698119 0.87 ITK (0.56) ITKBTKJAK3EGFR
SCHEMBL16391061 0.87 EGFR (0.57) ITKBTKJAK3EGFR

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