SCHEMBL20105310

SCHEMBL20105310

C[C@@H](Nc1nc(C(=N)NC(=O)O)nc2nc(N3C4CCCC3CC4)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.82

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
SCHEMBL20105887 0.94 MDM2 (0.72) MDM2
SCHEMBL17314192 0.90 MDM2 (1.00) MDM2
SCHEMBL15930888 0.90 MDM2 (1.00) MDM2
SCHEMBL20106152 0.90 MDM2 (0.66) MDM2
SCHEMBL20106113 0.88 MDM2 (0.82) MDM2
SCHEMBL20106361 0.86 MDM2 (0.67) MDM2
SCHEMBL20106139 0.86 MDM2 (0.76) MDM2
SCHEMBL20105885 0.86 MDM2 (0.83) MDM2
SCHEMBL20106475 0.85 MDM2 (0.80) MDM2
SCHEMBL20105676 0.85 MDM2 (0.66) 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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