SCHEMBL20105910

SCHEMBL20105910

C[C@@H](Nc1nc(C(=N)NC(=O)O)nc2nc(C(O)(CO)c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.68
▸ TP53 P04637 1/20 0.54

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
SCHEMBL20106423 0.92 MDM2 (0.57) MDM2TP53
SCHEMBL20105907 0.86 MDM2 (0.67) MDM2TP53
SCHEMBL20105911 0.86 MDM2 (0.62) MDM2
SCHEMBL20106428 0.86 MDM2 (0.66) MDM2TP53
SCHEMBL20106489 0.85 MDM2 (0.63) MDM2
SCHEMBL20106311 0.85 MDM2 (0.67) MDM2TP53
SCHEMBL20105837 0.85 MDM2 (0.67) MDM2
SCHEMBL20106160 0.84 MDM2 (0.66) MDM2
SCHEMBL20105793 0.83 MDM2 (0.61) MDM2
SCHEMBL20106488 0.83 MDM2 (0.61) 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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