SCHEMBL21443582

SCHEMBL21443582

C=CC(=O)Nc1cccc(Nc2ncc(C)c(Nc3cccc(CN(C)C/C=C/C(=O)Nc4cccc(Nc5ncc(F)c(Nc6cccc(C)c6)n5)c4)c3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.72
EGFR P00533 17/20 0.65
JAK3 P52333 1/20 0.61
BTK Q06187 7/20 0.60

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
SCHEMBL12518362 0.84 ITK (1.00) ITKEGFRJAK3BTK
SCHEMBL29722385 0.84 ITK (1.00) ITKEGFRJAK3BTK
SCHEMBL16266938 0.84 ITK (1.00) ITKEGFRJAK3BTK
SCHEMBL21443587 0.84 EGFR (0.63) ITKEGFRJAK3BTK
SCHEMBL12518438 0.83 EGFR (0.88) ITKEGFRJAK3BTK
SCHEMBL29722539 0.83 EGFR (0.88) ITKEGFRJAK3BTK
SCHEMBL2350864 0.82 EGFR (0.82) ITKEGFRJAK3BTK
SCHEMBL12518399 0.82 ITK (0.79) ITKEGFRJAK3BTK
SCHEMBL29722823 0.82 ITK (0.79) ITKEGFRJAK3BTK
SCHEMBL13606336 0.81 EGFR (1.00) ITKEGFRJAK3BTK

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