SCHEMBL27360244

SCHEMBL27360244

C/C(=C/N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)c1ccc(-c2ncccc2Cl)cc1)C(C)C)N=N

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
ELANE P08246 14/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
XIAP P98170 1/20 0.37
MLX Q9UH92 1/20 0.37
CMA1 P23946 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
SCHEMBL27360365 0.92 ELANE (0.39) TAAR1ELANECYP3A4CYP2C9XIAP
SCHEMBL27360243 0.92 ELANE (0.40) TAAR1ELANECYP3A4CYP2C9XIAP
SCHEMBL27360472 0.91 CYP3A4 (0.40) TAAR1ELANECYP3A4CYP2C9XIAP
SCHEMBL27360360 0.91 ELANE (0.38) TAAR1ELANECYP3A4CYP2C9XIAP
SCHEMBL27360362 0.90 ELANE (0.40) TAAR1ELANEXIAPMLXCMA1
SCHEMBL27360478 0.90 TAAR1 (0.36) TAAR1ELANECYP3A4CYP2C9XIAP
SCHEMBL27360357 0.89 ELANE (0.38) TAAR1ELANEXIAPMLX
SCHEMBL27360245 0.88 ELANE (0.41) TAAR1ELANEXIAPMLXCMA1
SCHEMBL27360352 0.87 XIAP (0.39) TAAR1ELANEXIAPMLX
SCHEMBL27360246 0.86 ELANE (0.40) TAAR1ELANEXIAPMLX

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