SCHEMBL20105399

SCHEMBL20105399

C[C@@H](Nc1nc(C(=N)NC(=O)O)nc2nc(-c3nccs3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.84
▸ TP53 P04637 1/20 0.59

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
SCHEMBL15923960 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL17314150 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL20106113 0.85 MDM2 (0.82) MDM2
SCHEMBL20106445 0.84 MDM2 (0.63) MDM2TP53
SCHEMBL20106139 0.83 MDM2 (0.76) MDM2
SCHEMBL20106361 0.83 MDM2 (0.67) MDM2
SCHEMBL20106229 0.83 MDM2 (0.83) MDM2TP53
SCHEMBL20105676 0.82 MDM2 (0.66) MDM2
SCHEMBL20106475 0.82 MDM2 (0.80) MDM2
SCHEMBL20106317 0.82 MDM2 (0.64) MDM2TP53

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-2951180-B1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-05-02 — — EP disclosed
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