SCHEMBL20105668

SCHEMBL20105668

C#C[C@H]1CC[C@H](Cn2c(-c3cc(C4CCC4)ccn3)nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c32)CC1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.84
▸ TP53 P04637 1/20 0.69

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
SCHEMBL17314384 0.91 MDM2 (1.00) MDM2TP53
SCHEMBL15931552 0.91 MDM2 (1.00) MDM2TP53
SCHEMBL17314543 0.90 MDM2 (1.00) MDM2TP53
SCHEMBL15931557 0.90 MDM2 (1.00) MDM2TP53
SCHEMBL20106039 0.90 MDM2 (0.89) MDM2TP53
SCHEMBL20106038 0.87 MDM2 (0.84) MDM2TP53
SCHEMBL20105980 0.85 MDM2 (0.84) MDM2TP53
SCHEMBL20106229 0.83 MDM2 (0.83) MDM2TP53
SCHEMBL20105377 0.82 MDM2 (0.84) MDM2TP53
SCHEMBL20105577 0.82 MDM2 (0.83) 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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