SCHEMBL21338069

SCHEMBL21338069

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N/C=C4\CCN(CCOC)C4)cc3)ncc2OC)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.59
ITK Q08881 5/20 0.59
BTK Q06187 10/20 0.54
JAK3 P52333 4/20 0.54
JAK2 O60674 1/20 0.54
LYN P07948 1/20 0.54
TEC P42680 1/20 0.54
TXK P42681 1/20 0.54
BMX P51813 1/20 0.54
CD69 Q07108 1/20 0.54

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
SCHEMBL16697954 0.82 EGFR (0.59) EGFRITKBTKJAK3JAK2
SCHEMBL16697956 0.82 EGFR (0.59) EGFRITKBTKJAK3JAK2
SCHEMBL18463268 0.80 EGFR (0.72) EGFRITKBTKJAK3JAK2
SCHEMBL16391115 0.77 EGFR (0.59) EGFRITKBTKJAK3
SCHEMBL16391082 0.77 EGFR (0.66) EGFRITKBTKJAK3TEC
SCHEMBL2351705 0.75 EGFR (1.00) EGFRITKBTK
SCHEMBL16391063 0.75 EGFR (0.67) EGFRITKBTKJAK3
SCHEMBL16698236 0.75 EGFR (0.67) EGFRITKBTKJAK3
SCHEMBL16391058 0.75 EGFR (0.67) EGFRITKBTKJAK3
SCHEMBL12518586 0.75 EGFR (1.00) EGFRITKBTK

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