SCHEMBL20106086

SCHEMBL20106086

C#C[C@H]1CC[C@H](Cn2c(N3CCN(S(C)(=O)=O)C[C@H]3c3ccccc3)nc3nc(C(=N)NC(=O)O)nc(N[C@H](C)C4CCC4)c32)CC1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.72
▸ TP53 P04637 1/20 0.55

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
SCHEMBL20105474 0.90 MDM2 (0.71) MDM2TP53
SCHEMBL20105537 0.85 MDM2 (0.57) MDM2
SCHEMBL17314216 0.84 MDM2 (1.00) MDM2TP53
SCHEMBL15931592 0.84 MDM2 (1.00) MDM2TP53
SCHEMBL20106132 0.82 MDM2 (0.70) MDM2
SCHEMBL20105497 0.82 MDM2 (0.81) MDM2TP53
SCHEMBL20105918 0.82 MDM2 (0.65) MDM2TP53
SCHEMBL20105908 0.82 MDM2 (0.84) MDM2TP53
SCHEMBL20106159 0.81 MDM2 (0.85) MDM2TP53
SCHEMBL20106291 0.81 MDM2 (0.60) 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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