SCHEMBL19624412

SCHEMBL19624412

C=CC(=O)Nc1ccc2c(c1)N(c1nc(Nc3ccc(OCCOC)cc3)ncc1F)CN2

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.63
▸ BTK Q06187 8/20 0.63
▸ ITK Q08881 7/20 0.63
▸ JAK2 O60674 1/20 0.63
▸ LYN P07948 1/20 0.63
▸ TEC P42680 1/20 0.63
▸ TXK P42681 1/20 0.63
▸ BMX P51813 1/20 0.63
▸ JAK3 P52333 1/20 0.63
▸ CD69 Q07108 1/20 0.63

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
SCHEMBL19624634 0.87 EGFR (0.48) EGFRBTKITKJAK2LYN
SCHEMBL19624639 0.85 EGFR (0.46) EGFRBTKITKJAK2LYN
SCHEMBL17252102 0.84 EGFR (0.61) EGFRBTKITKJAK2LYN
SCHEMBL25060367 0.83 EGFR (0.44) EGFRBTKITKJAK2LYN
SCHEMBL17242472 0.82 EGFR (0.59) EGFRBTKITKJAK2LYN
SCHEMBL19544868 0.80 EGFR (0.66) EGFRBTKITKJAK2LYN
SCHEMBL19544624 0.79 EGFR (0.65) EGFRBTKITKJAK2LYN
SCHEMBL15814562 0.78 EGFR (0.78) EGFRBTKITKJAK2LYN
SCHEMBL29722399 0.77 EGFR (1.00) EGFRBTKITKJAK2LYN
Spebrutinib SCHEMBL626216 0.77 EGFR (1.00) EGFRBTKITKJAK2LYN

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-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP disclosed
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