SCHEMBL31532631

SCHEMBL31532631

NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.68
▸ MELK Q14680 3/20 0.68
▸ PLK4 O00444 1/20 0.68
▸ GAK O14976 1/20 0.68
▸ JAK2 O60674 1/20 0.68
▸ ULK1 O75385 1/20 0.68
▸ RPS6KA4 O75676 1/20 0.68
▸ STK10 O94804 1/20 0.68
▸ PRKD3 O94806 1/20 0.68
▸ MAP4K4 O95819 1/20 0.68
▸ PAK4 O96013 1/20 0.68
▸ ABL1 P00519 1/20 0.68
▸ EGFR P00533 1/20 0.68
▸ LCK P06239 1/20 0.68
▸ FYN P06241 1/20 0.68
▸ FES P07332 1/20 0.68
▸ YES1 P07947 1/20 0.68
▸ LYN P07948 1/20 0.68
▸ RET P07949 1/20 0.68
▸ HCK P08631 1/20 0.68

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
SCHEMBL1127242 1.00 CHEK1 (0.68) CHEK1MELKPLK4GAKJAK2
SCHEMBL20305897 0.89 CHEK1 (0.69) CHEK1MELKPLK4GAKJAK2
SCHEMBL12649363 0.88 CHEK1 (0.62) CHEK1MELKPLK4GAKJAK2
SCHEMBL31532687 0.88 CHEK1 (0.62) CHEK1MELKPLK4GAKJAK2
SCHEMBL1127482 0.88 CHEK1 (0.55) CHEK1MELKPLK4GAKJAK2
SCHEMBL1127833 0.87 CHEK1 (0.51) CHEK1MELKPLK4GAKJAK2
SCHEMBL5551102 0.86 CHEK1 (0.57) CHEK1MELKPLK4GAKJAK2
SCHEMBL31532532 0.86 CHEK1 (0.62) CHEK1MELKPLK4GAKJAK2
SCHEMBL31532628 0.86 CHEK1 (0.62) CHEK1MELKPLK4GAKJAK2
SCHEMBL31532650 0.86 CHEK1 (0.79) CHEK1MELKPLK4GAKJAK2

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
WO-2025099238-A1 COMPOUNDS FOR USE IN THE TREATMENT OF GASTROINTESTINAL STROMAL TUMOR (GIST) Universität Duisburg-Essen (DE) 2025-05-15 — — WO disclosed
EP-4552639-A1 COMPOUNDS FOR USE IN THE TREATMENT OF GASTROINTESTINAL STROMAL TUMOR (GIST) Universität Duisburg-Essen (DE) 2025-05-14 — — EP disclosed
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