SCHEMBL29537738

SCHEMBL29537738

[2H]C([2H])=CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cn(C)nc3Cl)ncc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.41
▸ MAP3K7 O43318 3/20 0.39
▸ FGFR1 P11362 3/20 0.39
▸ SRC P12931 3/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAPK3 P27361 5/20 0.38
▸ FGFR4 P22455 2/20 0.38
▸ EGFR P00533 4/20 0.37
▸ BTK Q06187 2/20 0.37
▸ ITK Q08881 1/20 0.36
▸ ALK Q9UM73 1/20 0.36

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
SCHEMBL29538268 0.95 JAK3 (0.46) JAK3MAP3K7FGFR1SRCMAPK3
SCHEMBL24393006 0.95 JAK3 (0.46) JAK3MAP3K7FGFR1SRCMAPK3
Trifluoroacetic Acid SCHEMBL29251056 0.92 JAK3 (0.44) JAK3MAP3K7FGFR1SRCMAPK3
Trifluoroacetic Acid SCHEMBL29537456 0.92 JAK3 (0.44) JAK3MAP3K7FGFR1SRCMAPK3
Pebezertinib SCHEMBL29538037 0.88 JAK3 (0.49) JAK3MAP3K7FGFR1SRCKDR
SCHEMBL24392933 0.88 JAK3 (0.43) JAK3MAP3K7FGFR1SRCMAPK3
SCHEMBL24392953 0.87 JAK3 (0.43) JAK3MAP3K7FGFR1SRCMAPK3
SCHEMBL24392943 0.87 JAK3 (0.51) JAK3MAP3K7FGFR1SRCMAPK3
SCHEMBL24392821 0.87 JAK2 (0.43) JAK3MAP3K7FGFR1SRCKDR
SCHEMBL29537579 0.87 JAK2 (0.43) JAK3MAP3K7FGFR1SRCKDR

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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