SCHEMBL20106133

SCHEMBL20106133

C#C[C@H]1CC[C@H](Cn2c(C3CCCCC3c3ccccc3)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 0.55

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
SCHEMBL17314994 0.91 MDM2 (1.00) MDM2TP53
SCHEMBL15931581 0.91 MDM2 (1.00) MDM2TP53
SCHEMBL20105712 0.83 MDM2 (0.84) MDM2TP53
SCHEMBL20106431 0.83 MDM2 (0.83) MDM2
SCHEMBL20105509 0.82 MDM2 (0.83) MDM2
SCHEMBL20106019 0.82 MDM2 (0.86) MDM2
SCHEMBL20105744 0.80 MDM2 (0.86) MDM2
SCHEMBL20105308 0.79 MDM2 (0.85) MDM2TP53
SCHEMBL15931075 0.79 MDM2 (1.00) MDM2
SCHEMBL20105977 0.79 MDM2 (0.86) 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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