SCHEMBL20105931

SCHEMBL20105931

C=C[C@H]1CC[C@H](Cn2c(N3CCO[C@H](C)C3c3ccccc3)nc3nc(-c4n[nH]c(=O)o4)nc(N[C@H](C)C4CCC4)c32)CC1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.87
▸ TP53 P04637 3/20 0.70

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
SCHEMBL17314345 0.93 MDM2 (1.00) MDM2TP53
SCHEMBL17314547 0.93 MDM2 (1.00) MDM2TP53
SCHEMBL17314344 0.93 MDM2 (1.00) MDM2TP53
SCHEMBL15930936 0.93 MDM2 (1.00) MDM2TP53
SCHEMBL20105694 0.87 MDM2 (0.85) MDM2TP53
SCHEMBL20105544 0.83 MDM2 (0.78) MDM2TP53
SCHEMBL15931319 0.83 MDM2 (1.00) MDM2TP53
SCHEMBL17314625 0.83 MDM2 (1.00) MDM2TP53
SCHEMBL17314420 0.83 MDM2 (1.00) MDM2TP53
SCHEMBL17314423 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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