SCHEMBL27360463

SCHEMBL27360463

C/C(=C/N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)c1ccc(-c2ccnnc2C)cc1)C(C)C)N=N

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.37
MLX Q9UH92 1/20 0.37
ELANE P08246 18/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL27360357 0.90 ELANE (0.38) XIAPMLXELANETAAR1
SCHEMBL27360361 0.88 MAPK1 (0.38) XIAPMLXELANETAAR1
SCHEMBL27360356 0.88 XIAP (0.37) XIAPMLXELANETAAR1
SCHEMBL27360352 0.88 XIAP (0.39) XIAPMLXELANETAAR1
SCHEMBL27360367 0.87 XIAP (0.38) XIAPMLXELANETAAR1
SCHEMBL27360362 0.87 ELANE (0.40) XIAPMLXELANETAAR1
SCHEMBL27360354 0.86 ELANE (0.39) XIAPMLXELANETAAR1
SCHEMBL27360245 0.85 ELANE (0.41) XIAPMLXELANETAAR1
SCHEMBL27360246 0.85 ELANE (0.40) XIAPMLXELANETAAR1
SCHEMBL27360580 0.84 XIAP (0.38) XIAPMLXELANETAAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024040080-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2024-02-22 WO disclosed