SCHEMBL27360362

SCHEMBL27360362

C/C(=C/N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)c1ccc(-c2ncccn2)cc1)C(C)C)N=N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.40
XIAP P98170 1/20 0.40
MLX Q9UH92 1/20 0.40
TAAR1 Q96RJ0 1/20 0.37
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.35

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
SCHEMBL27360580 0.93 XIAP (0.38) ELANEXIAPMLXTAAR1CTSG
SCHEMBL27360245 0.92 ELANE (0.41) ELANEXIAPMLXTAAR1CTSG
SCHEMBL27360357 0.91 ELANE (0.38) ELANEXIAPMLXTAAR1
SCHEMBL27360352 0.91 XIAP (0.39) ELANEXIAPMLXTAAR1
SCHEMBL27360365 0.90 ELANE (0.39) ELANEXIAPMLXTAAR1CMA1
SCHEMBL27360360 0.90 ELANE (0.38) ELANEXIAPMLXTAAR1CMA1
SCHEMBL27360243 0.90 ELANE (0.40) ELANEXIAPMLXTAAR1CMA1
SCHEMBL27360244 0.90 TAAR1 (0.39) ELANEXIAPMLXTAAR1CMA1
SCHEMBL27360246 0.89 ELANE (0.40) ELANEXIAPMLXTAAR1CTSG
SCHEMBL27360354 0.88 ELANE (0.39) ELANEXIAPMLXTAAR1

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