SCHEMBL20106449

SCHEMBL20106449

C[C@@H](Nc1nc(C(=N)OC(N)=O)nc2nc(C3(c4ccccc4)CCC3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.80

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
SCHEMBL20106454 0.90 MDM2 (0.79) MDM2
SCHEMBL17313966 0.89 MDM2 (1.00) MDM2
SCHEMBL15922251 0.89 MDM2 (1.00) MDM2
SCHEMBL17314898 0.89 MDM2 (0.87) MDM2
SCHEMBL17314899 0.89 MDM2 (0.87) MDM2
SCHEMBL20106359 0.88 MDM2 (0.79) MDM2
SCHEMBL15931582 0.87 MDM2 (1.00) MDM2
SCHEMBL17314763 0.87 MDM2 (1.00) MDM2
SCHEMBL20106264 0.86 MDM2 (0.83) MDM2
SCHEMBL17314494 0.86 MDM2 (0.79) 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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