SCHEMBL24392848

SCHEMBL24392848

C=CC(=O)Nc1ccc(F)c(Oc2nc(Nc3cnn(C)c3)ncc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 18/20 0.62
▸ BTK Q06187 16/20 0.62
▸ MAP3K7 O43318 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MAP2K1 Q02750 1/20 0.51
▸ EGFR P00533 1/20 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
SCHEMBL24388573 0.88 JAK3 (0.62) JAK3BTKMAP3K7MAPK1MAP2K1
SCHEMBL29537576 0.88 EGFR (0.61) JAK3BTKMAP3K7MAPK1MAP2K1
SCHEMBL29508118 0.88 JAK3 (0.62) JAK3BTKMAP3K7MAPK1MAP2K1
SCHEMBL24392850 0.88 EGFR (0.61) JAK3BTKMAP3K7MAPK1MAP2K1
Pebezertinib SCHEMBL24392854 0.86 JAK3 (0.54) JAK3BTKMAP3K7MAPK1MAP2K1
SCHEMBL29538046 0.84 MAP3K7 (0.71) JAK3BTKMAP3K7MAPK1MAP2K1
SCHEMBL24392701 0.84 MAP3K7 (0.71) JAK3BTKMAP3K7MAPK1MAP2K1
SCHEMBL24392805 0.84 JAK3 (0.50) JAK3BTKMAP3K7MAPK1MAP2K1
SCHEMBL24392761 0.83 JAK3 (0.58) JAK3BTKMAP3K7MAPK1MAP2K1
SCHEMBL29538322 0.83 JAK3 (0.58) JAK3BTKMAP3K7MAPK1MAP2K1

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 4 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
CN-116685583-A Pyrimidine compounds, compositions and pharmaceutical uses thereof 缆图药品公司 2023-09-01 — — CN disclosed
WO-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
WO-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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