SCHEMBL1127833

SCHEMBL1127833

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 8/20 0.51
▸ MELK Q14680 3/20 0.51
▸ BTK Q06187 2/20 0.51
▸ DYRK1A Q13627 2/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ ULK1 O75385 1/20 0.51
▸ RPS6KA4 O75676 1/20 0.51
▸ STK10 O94804 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ FES P07332 1/20 0.51
▸ YES1 P07947 1/20 0.51
▸ LYN P07948 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
SCHEMBL31554317 0.89 CHEK1 (0.45) CHEK1MELKBTKDYRK1APLK4
SCHEMBL31532636 0.88 USP30 (0.59) CHEK1MELKBTKDYRK1APLK4
SCHEMBL31532675 0.88 USP30 (0.59) CHEK1MELKBTKDYRK1APLK4
SCHEMBL1770908 0.88 USP30 (0.59) CHEK1MELKBTKDYRK1APLK4
SCHEMBL31532631 0.87 CHEK1 (0.68) CHEK1MELKBTKDYRK1APLK4
SCHEMBL1127242 0.87 CHEK1 (0.68) CHEK1MELKBTKDYRK1APLK4
SCHEMBL5554830 0.85 MAPT (0.54) CHEK1CDK2AP1KMT2AKDM4EMEN1
SCHEMBL31532647 0.85 USP30 (0.56) CHEK1MELKBTKDYRK1APLK4
SCHEMBL31532519 0.85 USP30 (0.56) CHEK1MELKBTKDYRK1APLK4
SCHEMBL31532618 0.85 CHEK1 (0.58) CHEK1MELKBTKDYRK1APLK4

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
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
EP-2283012-A1 METHODS OF PREPARING SUBSTITUTED HETEROCYCLES AstraZeneca AB (SE) 2011-02-16 — — EP disclosed
WO-2009133389-A1 METHODS OF PREPARING SUBSTITUTED HETEROCYCLES ASTRAZENECA AB (SE) 2009-11-05 — — WO disclosed
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