SCHEMBL24392944

SCHEMBL24392944

C=CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cnn(C)c3)ncc2-c2cncnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.56
▸ JAK1 P23458 4/20 0.51
▸ JAK2 O60674 2/20 0.51
▸ TTK P33981 1/20 0.51
▸ BTK Q06187 3/20 0.50
▸ MAP3K7 O43318 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MAP2K1 Q02750 1/20 0.47
▸ EGFR P00533 6/20 0.46
▸ ITK Q08881 3/20 0.46
▸ FGFR1 P11362 2/20 0.44
▸ SRC P12931 2/20 0.44

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
Trifluoroacetic Acid SCHEMBL29250742 0.95 JAK3 (0.52) JAK3JAK1JAK2TTKBTK
Trifluoroacetic Acid SCHEMBL29538354 0.95 JAK3 (0.52) JAK3JAK1JAK2TTKBTK
SCHEMBL29538058 0.93 JAK3 (0.56) JAK3JAK1JAK2TTKBTK
SCHEMBL24392840 0.93 JAK3 (0.56) JAK3JAK1JAK2TTKBTK
SCHEMBL29538195 0.93 JAK3 (0.56) JAK3JAK1JAK2TTKBTK
SCHEMBL24392865 0.93 JAK3 (0.56) JAK3JAK1JAK2TTKBTK
SCHEMBL24392851 0.92 JAK3 (0.55) JAK3JAK1JAK2TTKBTK
SCHEMBL24392846 0.92 JAK3 (0.61) JAK3JAK1JAK2TTKBTK
SCHEMBL29537303 0.92 JAK3 (0.55) JAK3JAK1JAK2TTKBTK
SCHEMBL29537472 0.92 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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