SCHEMBL20106005

SCHEMBL20106005

CC(C)c1ccnc(-c2nc3nc(C(N)=O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.88
▸ TP53 P04637 1/20 0.88

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
SCHEMBL15931128 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL15931328 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL15930863 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL20105773 0.92 MDM2 (0.81) MDM2TP53
SCHEMBL20106186 0.90 MDM2 (0.80) MDM2TP53
SCHEMBL15922320 0.89 MDM2 (1.00) MDM2TP53
SCHEMBL20106002 0.89 MDM2 (0.79) MDM2TP53
SCHEMBL20105960 0.89 MDM2 (0.84) MDM2TP53
SCHEMBL15930663 0.89 MDM2 (1.00) MDM2TP53
SCHEMBL15931088 0.88 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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