SCHEMBL20105873

SCHEMBL20105873

C[C@@H](Nc1nc(C(=N)NC(=O)O)nc2nc(N3CCOC4CCCCC43)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.69
▸ TP53 P04637 1/20 0.60

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
SCHEMBL20105885 0.91 MDM2 (0.83) MDM2
SCHEMBL20106192 0.91 MDM2 (0.57) MDM2TP53
SCHEMBL20105978 0.91 MDM2 (0.57) MDM2TP53
SCHEMBL20105283 0.91 MDM2 (0.83) MDM2
SCHEMBL20106136 0.89 MDM2 (0.68) MDM2TP53
SCHEMBL20105979 0.87 MDM2 (0.65) MDM2TP53
SCHEMBL20105293 0.86 MDM2 (0.68) MDM2TP53
SCHEMBL20105697 0.84 MDM2 (0.85) MDM2TP53
SCHEMBL20105310 0.84 MDM2 (0.82) MDM2
SCHEMBL20105724 0.84 MDM2 (0.73) 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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