SCHEMBL21443587

SCHEMBL21443587

C=CC(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C/C=C/C(=O)Nc4cccc(Nc5ncc(C)c(Nc6cccc(C/C=C/C(=O)Nc7cccc(Nc8nccc(Nc9cccc(C)c9)n8)c7)c6)n5)c4)c3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.63
ITK Q08881 10/20 0.63
BTK Q06187 7/20 0.59
JAK3 P52333 1/20 0.52

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
SCHEMBL21443582 0.84 ITK (0.72) EGFRITKBTKJAK3
SCHEMBL2350864 0.81 EGFR (0.82) EGFRITKBTKJAK3
SCHEMBL13606336 0.80 EGFR (1.00) EGFRITKBTKJAK3
SCHEMBL2350876 0.80 EGFR (1.00) EGFRITKBTKJAK3
SCHEMBL13165488 0.80 ITK (1.00) EGFRITKBTK
SCHEMBL16266938 0.77 ITK (1.00) EGFRITKBTKJAK3
SCHEMBL29722385 0.77 ITK (1.00) EGFRITKBTKJAK3
SCHEMBL12518362 0.77 ITK (1.00) EGFRITKBTKJAK3
SCHEMBL12519703 0.76 EGFR (0.79) EGFRITKBTKJAK3
SCHEMBL29722355 0.76 EGFR (0.79) 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