SCHEMBL20105246

SCHEMBL20105246

C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3ccc(Cl)cc3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.88

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
SCHEMBL20105251 0.94 MDM2 (0.94) MDM2
SCHEMBL15922276 0.94 MDM2 (1.00) MDM2
SCHEMBL15922021 0.94 MDM2 (1.00) MDM2
SCHEMBL17323757 0.94 MDM2 (1.00) MDM2
SCHEMBL15922959 0.94 MDM2 (1.00) MDM2
SCHEMBL15931429 0.93 MDM2 (1.00) MDM2
SCHEMBL15930742 0.92 MDM2 (1.00) MDM2
SCHEMBL15921855 0.92 MDM2 (1.00) MDM2
SCHEMBL15922911 0.92 MDM2 (1.00) MDM2
SCHEMBL15930756 0.92 MDM2 (0.84) MDM2

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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