SCHEMBL21443531

SCHEMBL21443531

CNc1ccc(Nc2nc(Nc3ccc(OCCOC)c(F)c3)ncc2F)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.72
BTK Q06187 5/20 0.70
ITK Q08881 3/20 0.66
SYK P43405 2/20 0.63
AURKA O14965 1/20 0.55
JAK2 O60674 1/20 0.55
LYN P07948 1/20 0.55
TEC P42680 1/20 0.55
TXK P42681 1/20 0.55
BMX P51813 1/20 0.55
JAK3 P52333 1/20 0.55
CD69 Q07108 1/20 0.55

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
SCHEMBL23409017 0.86 SYK (0.68) EGFRBTKITKSYKAURKA
SCHEMBL13167027 0.86 EGFR (0.83) EGFRBTKITKJAK2LYN
SCHEMBL29722353 0.84 EGFR (1.00) EGFRBTKITKSYKJAK2
SCHEMBL12519669 0.84 EGFR (1.00) EGFRBTKITKJAK2LYN
SCHEMBL12519855 0.84 EGFR (1.00) EGFRBTKITKSYKJAK2
SCHEMBL29722535 0.84 EGFR (1.00) EGFRBTKITKJAK2LYN
SCHEMBL12519588 0.84 EGFR (0.72) EGFRBTKITKSYK
SCHEMBL12519856 0.83 EGFR (0.79) EGFRBTKITKSYKJAK2
SCHEMBL20216169 0.83 EGFR (0.80) EGFRBTKITKSYKJAK2
SCHEMBL12519857 0.83 EGFR (1.00) EGFRBTKITKSYKJAK2

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