SCHEMBL27360367

SCHEMBL27360367

C/C(=C/N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)c1ccc(-c2cnccc2C)cc1)C(C)C)N=N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.38
MLX Q9UH92 1/20 0.38
ELANE P08246 12/20 0.37
PTGES O14684 1/20 0.34
PTGS2 P35354 1/20 0.34
PREP P48147 2/20 0.34
SLC6A2 P23975 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ABL1 P00519 2/20 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
SCHEMBL27360361 0.94 MAPK1 (0.38) XIAPMLXELANEPREPTAAR1
SCHEMBL27360352 0.91 XIAP (0.39) XIAPMLXELANEPREPSLC6A2
SCHEMBL27360246 0.89 ELANE (0.40) XIAPMLXELANEPREPSLC6A2
SCHEMBL27360354 0.89 ELANE (0.39) XIAPMLXELANESLC6A2TAAR1
SCHEMBL27360364 0.88 ELANE (0.37) XIAPMLXELANEPREPTAAR1
SCHEMBL27360468 0.87 ELANE (0.36) XIAPMLXELANETAAR1
SCHEMBL27360463 0.87 XIAP (0.37) XIAPMLXELANETAAR1
SCHEMBL27360359 0.87 XIAP (0.37) XIAPMLXELANEPREPTAAR1
SCHEMBL27360356 0.87 XIAP (0.37) XIAPMLXELANESLC6A2TAAR1
SCHEMBL27360362 0.87 ELANE (0.40) 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