SCHEMBL20106003

SCHEMBL20106003

C=C([C@H]1CC[C@H](C)CC1)n1c(-c2cc(C(C)C)cc(OCC)n2)nc2nc(C(=O)O)nc(N[C@H](C)C3CCC3)c21

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.76
▸ TP53 P04637 1/20 0.57

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
SCHEMBL20105806 0.86 MDM2 (1.00) MDM2TP53
SCHEMBL17314063 0.86 MDM2 (1.00) MDM2TP53
SCHEMBL15928705 0.86 MDM2 (1.00) MDM2TP53
SCHEMBL20106007 0.86 MDM2 (0.76) MDM2TP53
SCHEMBL20105343 0.77 MDM2 (0.73) MDM2TP53
SCHEMBL15921956 0.75 MDM2 (0.79) MDM2TP53
SCHEMBL15921953 0.75 MDM2 (0.79) MDM2TP53
SCHEMBL20105747 0.74 MDM2 (0.70) MDM2
SCHEMBL17314095 0.73 MDM2 (1.00) MDM2TP53
SCHEMBL15931122 0.73 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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