SCHEMBL29538046

SCHEMBL29538046

C=CC(=O)Nc1ccc(F)c(Oc2nc(Nc3cnn(C)c3)ncc2Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 4/20 0.71
▸ MAP2K1 Q02750 4/20 0.71
▸ MAPK1 P28482 3/20 0.71
▸ JAK3 P52333 16/20 0.69
▸ BTK Q06187 10/20 0.69
▸ JAK2 O60674 2/20 0.59
▸ JAK1 P23458 1/20 0.59
▸ TTK P33981 1/20 0.59
▸ EGFR P00533 1/20 0.56
▸ BLK P51451 1/20 0.56
▸ BMX P51813 1/20 0.56
▸ FLT3 P36888 1/20 0.56

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
SCHEMBL24392701 1.00 MAP3K7 (0.71) MAP3K7MAP2K1MAPK1JAK3BTK
SCHEMBL24392718 0.90 MAP3K7 (0.71) MAP3K7MAP2K1MAPK1JAK3BTK
SCHEMBL29537572 0.89 MAP3K7 (0.65) MAP3K7MAP2K1MAPK1JAK3BTK
SCHEMBL29537573 0.89 MAP3K7 (0.65) MAP3K7MAP2K1MAPK1JAK3BTK
SCHEMBL24392702 0.89 MAP3K7 (0.65) MAP3K7MAP2K1MAPK1JAK3BTK
SCHEMBL24392896 0.89 MAP3K7 (0.68) MAP3K7MAP2K1MAPK1JAK3BTK
SCHEMBL29508118 0.89 JAK3 (0.62) MAP3K7MAP2K1MAPK1JAK3BTK
SCHEMBL24388573 0.89 JAK3 (0.62) MAP3K7MAP2K1MAPK1JAK3BTK
SCHEMBL24392724 0.88 JAK3 (0.65) MAP3K7MAP2K1MAPK1JAK3BTK
SCHEMBL29538472 0.88 JAK3 (0.65) MAP3K7MAP2K1MAPK1JAK3BTK

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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