SCHEMBL20105861

SCHEMBL20105861

CCC(Nc1nc2nc(C(=O)O)nc(N[C@H](C)C3CCC3)c2n1Cc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 1.00
▸ TP53 P04637 2/20 0.89

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
SCHEMBL17313989 1.00 MDM2 (1.00) MDM2TP53
SCHEMBL20105214 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL15930830 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL15930829 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL15922158 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL15930992 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL17314356 0.91 MDM2 (0.84) MDM2TP53
SCHEMBL20105516 0.88 MDM2 (0.82) MDM2TP53
SCHEMBL15931017 0.88 MDM2 (1.00) MDM2TP53
SCHEMBL15930744 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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