SCHEMBL20105977

SCHEMBL20105977

C#C[C@H]1CC[C@H](Cn2c(C3CC(C)CCN3CC)nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c32)CC1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.86

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
SCHEMBL15925021 0.93 MDM2 (1.00) MDM2
SCHEMBL15925020 0.93 MDM2 (1.00) MDM2
SCHEMBL20105744 0.91 MDM2 (0.86) MDM2
SCHEMBL20105587 0.91 MDM2 (0.91) MDM2
SCHEMBL15923652 0.83 MDM2 (1.00) MDM2
SCHEMBL15923651 0.83 MDM2 (1.00) MDM2
SCHEMBL20105746 0.82 MDM2 (0.91) MDM2
SCHEMBL20106036 0.82 MDM2 (0.91) MDM2
SCHEMBL20106133 0.79 MDM2 (0.83) MDM2
SCHEMBL15931081 0.77 MDM2 (1.00) 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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