SCHEMBL29537606

SCHEMBL29537606

C=CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cnn(C)c3)ncc2-c2ccc(NC(C)=O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.56
▸ JAK1 P23458 4/20 0.50
▸ JAK2 O60674 3/20 0.50
▸ TTK P33981 1/20 0.50
▸ BTK Q06187 2/20 0.49
▸ MAP3K7 O43318 5/20 0.49
▸ FGFR1 P11362 3/20 0.49
▸ SRC P12931 3/20 0.49
▸ MAPK1 P28482 1/20 0.46
▸ MAP2K1 Q02750 1/20 0.46
▸ EGFR P00533 5/20 0.45
▸ ITK Q08881 2/20 0.45

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
SCHEMBL24392753 1.00 JAK3 (0.56) JAK3JAK1JAK2TTKBTK
SCHEMBL24392856 0.94 JAK3 (0.57) JAK3JAK1JAK2TTKBTK
SCHEMBL29537639 0.93 JAK3 (0.54) JAK3JAK1JAK2TTKBTK
SCHEMBL24392754 0.93 JAK3 (0.54) JAK3JAK1JAK2TTKBTK
SCHEMBL29537613 0.93 JAK3 (0.60) JAK3JAK1JAK2TTKBTK
SCHEMBL24392741 0.93 JAK3 (0.60) JAK3JAK1JAK2TTKBTK
SCHEMBL29537597 0.92 JAK3 (0.56) JAK3JAK1JAK2TTKBTK
SCHEMBL24392782 0.92 JAK3 (0.56) JAK3JAK1JAK2TTKBTK
SCHEMBL24392983 0.92 JAK3 (0.56) JAK3JAK1JAK2TTKBTK
SCHEMBL24392749 0.92 JAK3 (0.57) 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-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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