SCHEMBL27360243

SCHEMBL27360243

C/C(=C/N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)c1ccc(-c2ncccc2F)cc1)C(C)C)N=N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.40
CYP3A4 P08684 2/20 0.37
XIAP P98170 1/20 0.37
MLX Q9UH92 1/20 0.37
CYP2C9 P11712 1/20 0.34
CMA1 P23946 4/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL27360365 0.92 ELANE (0.39) ELANECYP3A4XIAPMLXCYP2C9
SCHEMBL27360244 0.92 TAAR1 (0.39) ELANECYP3A4XIAPMLXCYP2C9
SCHEMBL27360357 0.90 ELANE (0.38) ELANEXIAPMLXTAAR1
SCHEMBL27360362 0.90 ELANE (0.40) ELANEXIAPMLXCMA1TAAR1
SCHEMBL27360472 0.89 CYP3A4 (0.40) ELANECYP3A4XIAPMLXCYP2C9
SCHEMBL27360245 0.88 ELANE (0.41) ELANEXIAPMLXCMA1TAAR1
SCHEMBL27360360 0.88 ELANE (0.38) ELANECYP3A4XIAPMLXCYP2C9
SCHEMBL27360352 0.87 XIAP (0.39) ELANEXIAPMLXTAAR1
SCHEMBL27360246 0.86 ELANE (0.40) ELANEXIAPMLXTAAR1
SCHEMBL27360354 0.85 ELANE (0.39) ELANECYP3A4XIAPMLXCYP2C9

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