SCHEMBL20105898

SCHEMBL20105898

C=C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccn3)nc3nc(C(=N)NC(=O)O)nc(N[C@H](C)C4CCC4)c32)CC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.62
▸ TP53 P04637 2/20 0.62

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
SCHEMBL20105697 0.85 MDM2 (0.85) MDM2TP53
SCHEMBL20105978 0.84 MDM2 (0.57) MDM2TP53
SCHEMBL20105340 0.83 MDM2 (0.72) MDM2TP53
SCHEMBL20106297 0.81 MDM2 (0.60) MDM2TP53
SCHEMBL20105769 0.81 MDM2 (0.69) MDM2TP53
SCHEMBL20106136 0.80 MDM2 (0.68) MDM2TP53
SCHEMBL20106080 0.80 MDM2 (0.55) MDM2TP53
SCHEMBL20106491 0.80 MDM2 (0.56) MDM2TP53
SCHEMBL20105761 0.79 MDM2 (0.70) MDM2
SCHEMBL20105732 0.79 MDM2 (0.57) MDM2TP53

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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