SCHEMBL20106229

SCHEMBL20106229

C#C[C@H]1CC[C@H](Cn2c(-c3nccs3)nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c32)CC1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.83
▸ TP53 P04637 1/20 0.58

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
SCHEMBL17314150 0.91 MDM2 (1.00) MDM2TP53
SCHEMBL15923960 0.91 MDM2 (1.00) MDM2TP53
SCHEMBL20105399 0.83 MDM2 (0.84) MDM2TP53
SCHEMBL20105668 0.83 MDM2 (0.84) MDM2TP53
SCHEMBL20105377 0.82 MDM2 (0.84) MDM2TP53
SCHEMBL20105397 0.79 MDM2 (0.68) MDM2TP53
SCHEMBL15931166 0.79 MDM2 (1.00) MDM2
SCHEMBL20106431 0.78 MDM2 (0.83) MDM2
SCHEMBL20106133 0.78 MDM2 (0.83) MDM2TP53
SCHEMBL20105509 0.78 MDM2 (0.83) 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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