SCHEMBL27360356

SCHEMBL27360356

C/C(=C/N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)c1ccc(-c2ccnnc2)cc1)C(C)C)N=N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.37
MLX Q9UH92 1/20 0.37
ELANE P08246 14/20 0.36
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
KCNH2 Q12809 2/20 0.34
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
OPRK1 P41145 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SLC6A2 P23975 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
SCHEMBL27360352 0.92 XIAP (0.39) XIAPMLXELANETAAR1SLC6A2
SCHEMBL27360246 0.90 ELANE (0.40) XIAPMLXELANEKCNH2TAAR1
SCHEMBL27360354 0.90 ELANE (0.39) XIAPMLXELANECYP3A4CYP2C9
SCHEMBL27360463 0.88 XIAP (0.37) XIAPMLXELANETAAR1
SCHEMBL27360362 0.88 ELANE (0.40) XIAPMLXELANETAAR1
SCHEMBL27360364 0.87 ELANE (0.37) XIAPMLXELANECYP3A4CYP2C9
SCHEMBL27360361 0.87 MAPK1 (0.38) XIAPMLXELANETAAR1
SCHEMBL27360367 0.87 XIAP (0.38) XIAPMLXELANETAAR1SLC6A2
SCHEMBL27360245 0.87 ELANE (0.41) XIAPMLXELANETAAR1
SCHEMBL27360580 0.86 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