SCHEMBL29508037

SCHEMBL29508037

[2H]C([2H])=CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cnn(C)c3)ncc2-c2cnc(F)c(F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.52
▸ JAK1 P23458 6/20 0.49
▸ JAK2 O60674 5/20 0.49
▸ TTK P33981 2/20 0.49
▸ BTK Q06187 2/20 0.45
▸ MAP3K7 O43318 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42
▸ EGFR P00533 3/20 0.41
▸ ITK Q08881 1/20 0.41
▸ TYK2 P29597 3/20 0.40
▸ FGFR1 P11362 3/20 0.40
▸ SRC P12931 3/20 0.40
▸ KDR P35968 1/20 0.40
▸ AURKB Q96GD4 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
SCHEMBL29508180 0.94 JAK3 (0.58) JAK3JAK1JAK2TTKBTK
SCHEMBL24388579 0.94 JAK3 (0.58) JAK3JAK1JAK2TTKBTK
SCHEMBL29538392 0.92 JAK3 (0.50) JAK3JAK1JAK2TTKBTK
SCHEMBL29508107 0.91 JAK3 (0.52) JAK3JAK1JAK2TTKBTK
SCHEMBL29508083 0.90 JAK3 (0.49) JAK3JAK1JAK2TTKBTK
Pebezertinib SCHEMBL29538037 0.89 JAK3 (0.49) JAK3JAK1JAK2TTKBTK
SCHEMBL24388357 0.87 JAK3 (0.57) JAK3JAK1JAK2TTKBTK
SCHEMBL29507977 0.87 JAK3 (0.57) JAK3JAK1JAK2TTKBTK
SCHEMBL24388530 0.87 JAK3 (0.57) JAK3JAK1JAK2TTKBTK
SCHEMBL24388546 0.87 JAK3 (0.61) JAK3JAK1JAK2TTKBTK

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-4237088-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 — — EP disclosed
WO-2022094355-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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