SCHEMBL24388583

SCHEMBL24388583

C=CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cnn(C)c3)ncc2-c2cnc(OC)c(F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.56
▸ BTK Q06187 3/20 0.52
▸ JAK2 O60674 2/20 0.51
▸ JAK1 P23458 2/20 0.51
▸ TTK P33981 1/20 0.51
▸ MAP3K7 O43318 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ MAP2K1 Q02750 1/20 0.49
▸ FGFR1 P11362 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ EGFR P00533 8/20 0.47
▸ ITK Q08881 5/20 0.47

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 SCHEMBL29508110 0.96 JAK3 (0.52) JAK3BTKJAK2JAK1TTK
Trifluoroacetic Acid SCHEMBL29065175 0.96 JAK3 (0.52) JAK3BTKJAK2JAK1TTK
SCHEMBL24388580 0.93 JAK3 (0.62) JAK3BTKJAK2JAK1TTK
SCHEMBL24392786 0.92 MAP3K7 (0.58) JAK3BTKJAK2JAK1TTK
SCHEMBL29537556 0.92 MAP3K7 (0.58) JAK3BTKJAK2JAK1TTK
SCHEMBL24388579 0.91 JAK3 (0.58) JAK3BTKJAK2JAK1TTK
SCHEMBL29508180 0.91 JAK3 (0.58) JAK3BTKJAK2JAK1TTK
SCHEMBL29508137 0.91 JAK3 (0.53) JAK3BTKJAK2JAK1TTK
SCHEMBL24388348 0.91 JAK3 (0.53) JAK3BTKJAK2JAK1TTK
SCHEMBL24388563 0.91 EGFR (0.59) JAK3BTKJAK2JAK1TTK

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-2022094355-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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