SCHEMBL31532541

SCHEMBL31532541

NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCCNC1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.95
MELK Q14680 3/20 0.95
PLK4 O00444 1/20 0.95
GAK O14976 1/20 0.95
JAK2 O60674 1/20 0.95
ULK1 O75385 1/20 0.95
RPS6KA4 O75676 1/20 0.95
STK10 O94804 1/20 0.95
PRKD3 O94806 1/20 0.95
MAP4K4 O95819 1/20 0.95
PAK4 O96013 1/20 0.95
ABL1 P00519 1/20 0.95
EGFR P00533 1/20 0.95
LCK P06239 1/20 0.95
FYN P06241 1/20 0.95
FES P07332 1/20 0.95
YES1 P07947 1/20 0.95
LYN P07948 1/20 0.95
RET P07949 1/20 0.95
HCK P08631 1/20 0.95

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
SCHEMBL31532638 1.00 CHEK1 (0.95) CHEK1MELKPLK4GAKJAK2
Azd-7762 SCHEMBL15105420 0.97 CHEK1 (1.00) CHEK1MELKPLK4GAKJAK2
Azd-7762 SCHEMBL29388936 0.97 CHEK1 (1.00) CHEK1MELKPLK4GAKJAK2
Azd-7762 SCHEMBL1564574 0.97 CHEK1 (1.00) CHEK1MELKPLK4GAKJAK2
Azd-7762 SCHEMBL31517325 0.97 CHEK1 (1.00) CHEK1MELKPLK4GAKJAK2
Azd-7762 SCHEMBL1127614 0.97 CHEK1 (1.00) CHEK1MELKPLK4GAKJAK2
Azd-7762 SCHEMBL19457662 0.96 MELK (1.00) CHEK1MELKPLK4GAKJAK2
Azd-7762 SCHEMBL29994838 0.96 MELK (1.00) CHEK1MELKPLK4GAKJAK2
SCHEMBL31532639 0.94 CHEK1 (0.89) CHEK1MELKPLK4GAKJAK2
SCHEMBL31532634 0.94 CHEK1 (0.89) 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