SCHEMBL20105518

SCHEMBL20105518

C#C[C@@H]1OCCN(c2nc3nc(C(=N)OC(N)=O)nc(N[C@H](C)C4CCC4)c3n2C[C@H]2CC[C@H](C#C)CC2)[C@@H]1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.57
▸ TP53 P04637 1/20 0.55

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
SCHEMBL20105932 0.87 MDM2 (0.61) MDM2TP53
SCHEMBL20106169 0.86 MDM2 (0.55) MDM2TP53
SCHEMBL20106356 0.82 MDM2 (0.54) MDM2TP53
SCHEMBL20105299 0.79 MDM2 (0.85) MDM2TP53
SCHEMBL20105780 0.79 MDM2 (0.85) MDM2TP53
SCHEMBL20105979 0.78 MDM2 (0.65) MDM2TP53
SCHEMBL20105495 0.77 MDM2 (0.54) MDM2TP53
SCHEMBL20106192 0.77 MDM2 (0.57) MDM2TP53
SCHEMBL20106159 0.77 MDM2 (0.85) MDM2TP53
SCHEMBL20105361 0.76 MDM2 (0.87) 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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