SCHEMBL29537576

SCHEMBL29537576

C=CC(=O)Nc1cccc(Oc2nc(Nc3cnn(C)c3)ncc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.61
▸ JAK3 P52333 4/20 0.61
▸ BTK Q06187 4/20 0.61
▸ ITK Q08881 5/20 0.55
▸ MAP3K7 O43318 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MAP2K1 Q02750 1/20 0.53
▸ JAK2 O60674 2/20 0.52
▸ BLK P51451 1/20 0.52
▸ BMX P51813 1/20 0.52
▸ JAK1 P23458 1/20 0.51
▸ TTK P33981 1/20 0.51

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
SCHEMBL24392850 1.00 EGFR (0.61) EGFRJAK3BTKITKMAP3K7
SCHEMBL24393009 0.92 EGFR (0.59) EGFRJAK3BTKITKMAP3K7
SCHEMBL29538117 0.92 EGFR (0.59) EGFRJAK3BTKITKMAP3K7
SCHEMBL29538186 0.92 EGFR (0.61) EGFRJAK3BTKITKMAP3K7
SCHEMBL24392771 0.92 EGFR (0.61) EGFRJAK3BTKITKMAP3K7
SCHEMBL29538019 0.89 EGFR (0.61) EGFRJAK3BTKITKMAP3K7
SCHEMBL29250579 0.89 EGFR (0.61) EGFRJAK3BTKITKMAP3K7
SCHEMBL24392976 0.89 EGFR (0.63) EGFRJAK3BTKITKMAP3K7
SCHEMBL29538534 0.89 EGFR (0.63) EGFRJAK3BTKITKMAP3K7
SCHEMBL24392764 0.89 EGFR (0.65) EGFRJAK3BTKITKJAK2

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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