SCHEMBL20105269

SCHEMBL20105269

CC(Nc1nc(C(=O)O)nc2nc(C3CCCCN3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1

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 1/20 0.71

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
SCHEMBL15921765 1.00 MDM2 (1.00) MDM2TP53
SCHEMBL15921912 0.93 MDM2 (0.86) MDM2TP53
SCHEMBL15930763 0.88 MDM2 (1.00) MDM2TP53
SCHEMBL15921960 0.88 MDM2 (1.00) MDM2TP53
SCHEMBL20105705 0.85 MDM2 (1.00) MDM2TP53
SCHEMBL15931075 0.85 MDM2 (1.00) MDM2
SCHEMBL15921933 0.85 MDM2 (1.00) MDM2TP53
SCHEMBL15921767 0.85 MDM2 (0.74) MDM2TP53
SCHEMBL15921770 0.85 MDM2 (0.74) MDM2TP53
SCHEMBL15931274 0.84 MDM2 (0.80) 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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