SCHEMBL20106497

SCHEMBL20106497

C[C@@H](Nc1nc(C(=N)NC(=O)O)nc2nc(C3(c4nccs4)CC3)n(CC3CCCCC3)c12)C1CCC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.58
▸ TP53 P04637 1/20 0.46

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
SCHEMBL20106496 0.92 MDM2 (0.56) MDM2TP53
SCHEMBL20106351 0.86 MDM2 (0.66) MDM2
SCHEMBL20106342 0.85 MDM2 (0.74) MDM2
SCHEMBL20105677 0.85 MDM2 (0.64) MDM2
SCHEMBL20106397 0.84 MDM2 (0.61) MDM2
SCHEMBL20106188 0.82 MDM2 (0.59) MDM2TP53
SCHEMBL20106410 0.82 MDM2 (0.70) MDM2TP53
SCHEMBL20106181 0.82 MDM2 (0.74) MDM2TP53
SCHEMBL20106123 0.82 MDM2 (0.70) MDM2
SCHEMBL20106264 0.81 MDM2 (0.83) 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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