Pebezertinib

Pebezertinib

SCHEMBL29538037

[2H]C([2H])=CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cnn(C)c3)ncc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.49
▸ DDR2 Q16832 6/20 0.46
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TTK P33981 1/20 0.44
▸ KDR P35968 2/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ MERTK Q12866 3/20 0.43
▸ MAP3K7 O43318 2/20 0.41
▸ FGFR1 P11362 2/20 0.41
▸ SRC P12931 2/20 0.41
▸ TYRO3 Q06418 2/20 0.41
▸ AXL P30530 1/20 0.40

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) JAK3DDR2JAK2JAK1TTK
Pebezertinib SCHEMBL24392854 0.95 JAK3 (0.54) JAK3DDR2JAK2JAK1TTK
Pebezertinib SCHEMBL29537331 0.91 JAK3 (0.49) JAK3DDR2JAK2JAK1TTK
SCHEMBL29538392 0.91 JAK3 (0.50) JAK3JAK2JAK1TTKBTK
SCHEMBL24393090 0.90 DDR2 (0.46) JAK3DDR2JAK2JAK1TTK
SCHEMBL29537705 0.90 DDR2 (0.46) JAK3DDR2JAK2JAK1TTK
SCHEMBL24392710 0.89 JAK3 (0.53) JAK3DDR2JAK2JAK1TTK
SCHEMBL24392761 0.89 JAK3 (0.58) JAK3DDR2JAK2JAK1TTK
SCHEMBL24393004 0.89 JAK3 (0.54) JAK3JAK2JAK1TTKBTK
SCHEMBL29538322 0.89 JAK3 (0.58) JAK3DDR2JAK2JAK1TTK

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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