SCHEMBL20105929

SCHEMBL20105929

C#C[C@H]1CC[C@H](Cn2c(N3CCCC3c3cccc(F)c3)nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c32)CC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.85
▸ TP53 P04637 1/20 0.61

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
SCHEMBL15930883 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL17314089 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL20105319 0.90 MDM2 (0.87) MDM2TP53
SCHEMBL15922906 0.90 MDM2 (1.00) MDM2TP53
SCHEMBL15922908 0.90 MDM2 (1.00) MDM2TP53
SCHEMBL20105308 0.88 MDM2 (0.85) MDM2TP53
SCHEMBL20106079 0.88 MDM2 (0.85) MDM2TP53
SCHEMBL20105919 0.84 MDM2 (0.86) MDM2TP53
SCHEMBL20105392 0.83 MDM2 (0.83) MDM2
SCHEMBL17314241 0.83 MDM2 (1.00) 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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