SCHEMBL20106486

SCHEMBL20106486

C[C@@H](Nc1nc(-c2noc(=O)[nH]2)nc2nc(C(C)(O)c3ccccc3)n(CC3CCCCC3)c12)C1CCC1

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.89

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
SCHEMBL15924565 0.94 MDM2 (1.00) MDM2
SCHEMBL17323843 0.94 MDM2 (1.00) MDM2
SCHEMBL15924564 0.94 MDM2 (1.00) MDM2
SCHEMBL20106087 0.91 MDM2 (0.90) MDM2
SCHEMBL15923742 0.88 MDM2 (1.00) MDM2
SCHEMBL15923740 0.88 MDM2 (1.00) MDM2
SCHEMBL15924288 0.87 MDM2 (1.00) MDM2
SCHEMBL15931387 0.87 MDM2 (1.00) MDM2
SCHEMBL15924286 0.87 MDM2 (1.00) MDM2
SCHEMBL20106461 0.87 MDM2 (0.89) 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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