Pebezertinib

Pebezertinib

SCHEMBL29537331

[2H]C([2H])([2H])n1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)c(Nc3cc(NC(=O)C=C)ccc3F)n2)cn1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.49
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TTK P33981 1/20 0.44
▸ BTK Q06187 1/20 0.43
▸ MAP3K7 O43318 3/20 0.43
▸ FGFR1 P11362 3/20 0.43
▸ SRC P12931 3/20 0.43
▸ DDR2 Q16832 1/20 0.42
▸ EGFR P00533 7/20 0.41
▸ KDR P35968 1/20 0.41
▸ ITK Q08881 4/20 0.41
▸ BMX P51813 1/20 0.41

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
Pebezertinib SCHEMBL29538098 0.96 JAK3 (0.44) JAK3JAK2JAK1TTKBTK
Pebezertinib SCHEMBL24392854 0.95 JAK3 (0.54) JAK3JAK2JAK1TTKBTK
Pebezertinib SCHEMBL29538037 0.91 JAK3 (0.49) JAK3JAK2JAK1TTKBTK
SCHEMBL24392710 0.89 JAK3 (0.53) JAK3JAK2JAK1TTKBTK
SCHEMBL24392761 0.89 JAK3 (0.58) JAK3JAK2JAK1TTKBTK
SCHEMBL24393004 0.89 JAK3 (0.54) JAK3JAK2JAK1TTKBTK
SCHEMBL29508107 0.89 JAK3 (0.52) JAK3JAK2JAK1TTKBTK
SCHEMBL29538322 0.89 JAK3 (0.58) JAK3JAK2JAK1TTKBTK
SCHEMBL29537886 0.88 SYK (0.43) JAK3JAK2JAK1DDR2KDR
SCHEMBL29508185 0.88 JAK3 (0.49) JAK3JAK2JAK1TTKBTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237418-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 — — EP disclosed
WO-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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