SCHEMBL20105613

SCHEMBL20105613

C[C@@H](Nc1nc(C(=N)NC(=O)O)nc2nc(N(C)C3CCCCC3)n(C)c12)C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.54
▸ TP53 P04637 1/20 0.42

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
SCHEMBL20105609 0.84 MDM2 (0.65) MDM2
SCHEMBL20105523 0.84 MDM2 (0.48) MDM2
SCHEMBL20106046 0.82 MDM2 (0.53) MDM2
SCHEMBL20105777 0.81 MDM2 (0.46) MDM2
SCHEMBL20105933 0.79 MDM2 (0.45) MDM2
SCHEMBL20106420 0.79 MDM2 (0.48) MDM2
SCHEMBL20105733 0.79 MDM2 (0.45) MDM2
SCHEMBL20106123 0.78 MDM2 (0.70) MDM2
SCHEMBL20106387 0.77 MDM2 (0.43) MDM2
SCHEMBL20105657 0.77 MDM2 (0.50) 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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