SCHEMBL21443568

SCHEMBL21443568

C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCC)c3)ncc2C)c1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.80
ITK Q08881 12/20 0.80
BTK Q06187 5/20 0.76
JAK3 P52333 1/20 0.61

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
SCHEMBL18165644 0.92 EGFR (0.77) EGFRITKBTKJAK3
SCHEMBL14769280 0.90 EGFR (0.81) EGFRITKBTK
SCHEMBL14791244 0.89 EGFR (0.72) EGFRITKBTKJAK3
SCHEMBL14769084 0.89 EGFR (0.72) EGFRITKBTKJAK3
SCHEMBL2353964 0.89 EGFR (1.00) EGFRITKBTKJAK3
SCHEMBL13166543 0.89 EGFR (0.75) EGFRITKBTKJAK3
SCHEMBL21443612 0.89 ITK (0.65) EGFRITKBTK
SCHEMBL12518316 0.88 EGFR (0.73) EGFRITKBTKJAK3
SCHEMBL12518349 0.87 EGFR (0.81) EGFRITKBTK
SCHEMBL2352426 0.87 BTK (1.00) EGFRITKBTKJAK3

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-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed