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SCHEMBL18635933

SCHEMBL18635933

COC(=O)c1ccc(CN(C(=O)C2Cc3ccccc3CN2C(=O)C(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)SC)[C@H](C)c2ccccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 20/20 0.49
▸ BIRC2 Q13490 18/20 0.49
▸ BIRC3 Q13489 17/20 0.49

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
SCHEMBL18673958 1.00 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL17024532 1.00 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL17024531 1.00 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL17024510 0.95 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL17024508 0.95 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL18635963 0.95 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL18636145 0.92 XIAP (0.50) XIAPBIRC2BIRC3
SCHEMBL17024616 0.92 XIAP (0.50) XIAPBIRC2BIRC3
SCHEMBL18673961 0.92 XIAP (0.50) XIAPBIRC2BIRC3
SCHEMBL17024617 0.92 XIAP (0.50) XIAPBIRC2BIRC3

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
EP-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 — — EP disclosed