SCHEMBL20105984

SCHEMBL20105984

CC(=O)c1nc(N[C@H](C)C2CCC2)c2c(n1)nc(-c1cc(C(C)C)ccn1)n2CC1CCC(C)CC1

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 0.89

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
SCHEMBL17313971 1.00 MDM2 (1.00) MDM2TP53
SCHEMBL15930941 1.00 MDM2 (1.00) MDM2TP53
SCHEMBL17314095 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL15931122 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL20105980 0.91 MDM2 (0.84) MDM2TP53
SCHEMBL17323814 0.90 MDM2 (0.85) MDM2TP53
SCHEMBL17314449 0.89 MDM2 (0.80) MDM2TP53
SCHEMBL17314450 0.89 MDM2 (0.80) MDM2TP53
SCHEMBL15922409 0.88 MDM2 (1.00) MDM2TP53
SCHEMBL15931089 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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