SCHEMBL2731933

SCHEMBL2731933

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2CCN(CCc3ccccc3)C[C@H]21)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 18/20 0.58
XIAP P98170 16/20 0.58
BIRC3 Q13489 3/20 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
SCHEMBL728740 1.00 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL2731929 1.00 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL12568679 1.00 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL2731495 1.00 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL2731493 1.00 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL18494147 1.00 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL19309145 1.00 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL20231032 1.00 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL20334443 1.00 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL10127375 0.99 BIRC2 (0.59) BIRC2XIAPBIRC3

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-2012052758-A1 RESPONSE BIOMARKERS FOR IAP ANTAGONISTS IN HUMAN CANCERS ASTRAZENECA AB (SE) 2012-04-26 WO disclosed