SCHEMBL29538392

SCHEMBL29538392

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.50
▸ JAK2 O60674 4/20 0.45
▸ JAK1 P23458 4/20 0.45
▸ TTK P33981 1/20 0.45
▸ BTK Q06187 2/20 0.44
▸ ALK Q9UM73 4/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ CSNK1A1 P48729 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ GSK3A P49840 1/20 0.42

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
SCHEMBL24392983 0.94 JAK3 (0.56) JAK3JAK2JAK1TTKBTK
SCHEMBL29508083 0.94 JAK3 (0.49) JAK3JAK2JAK1TTKBTK
SCHEMBL29508037 0.92 JAK3 (0.52) JAK3JAK2JAK1TTKBTK
Pebezertinib SCHEMBL29538037 0.91 JAK3 (0.49) JAK3JAK2JAK1TTKBTK
Trifluoroacetic Acid SCHEMBL29250678 0.90 JAK3 (0.52) JAK3JAK2JAK1TTKBTK
Trifluoroacetic Acid SCHEMBL29537647 0.90 JAK3 (0.52) JAK3JAK2JAK1TTKBTK
SCHEMBL29508010 0.88 JAK3 (0.54) JAK3JAK2JAK1TTKBTK
SCHEMBL24388610 0.88 JAK3 (0.54) JAK3JAK2JAK1TTKBTK
SCHEMBL24388543 0.88 JAK3 (0.56) JAK3JAK2JAK1TTKBTK
SCHEMBL29508038 0.88 JAK3 (0.56) 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
Send feedback