SCHEMBL20105577

SCHEMBL20105577

CC(C)c1ccnc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2C[C@H]2CC[C@H](C#CF)CC2)c1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.83
▸ TP53 P04637 3/20 0.82

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
SCHEMBL15921688 0.91 MDM2 (1.00) MDM2TP53
SCHEMBL17314969 0.91 MDM2 (1.00) MDM2TP53
SCHEMBL15931122 0.90 MDM2 (1.00) MDM2TP53
SCHEMBL17314095 0.90 MDM2 (1.00) MDM2TP53
SCHEMBL17314474 0.90 MDM2 (1.00) MDM2TP53
SCHEMBL15922680 0.90 MDM2 (1.00) MDM2TP53
SCHEMBL20106272 0.90 MDM2 (0.88) MDM2TP53
SCHEMBL20105580 0.90 MDM2 (0.88) MDM2TP53
SCHEMBL17314773 0.89 MDM2 (1.00) MDM2TP53
SCHEMBL15921582 0.89 MDM2 (1.00) 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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