SCHEMBL20105657

SCHEMBL20105657

CCn1c(C(C)C2CCCCC2)nc2nc(C(=N)NC(=O)O)nc(N[C@H](C)C3CCC3)c21

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.50
▸ TP53 P04637 1/20 0.45

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
SCHEMBL20106130 0.91 MDM2 (0.57) MDM2
SCHEMBL20106119 0.88 MDM2 (0.65) MDM2
SCHEMBL20105583 0.84 MDM2 (0.49) MDM2TP53
SCHEMBL20105802 0.84 MDM2 (0.57) MDM2
SCHEMBL20106395 0.83 MDM2 (0.56) MDM2
SCHEMBL20106123 0.83 MDM2 (0.70) MDM2
SCHEMBL20106251 0.83 MDM2 (0.51) MDM2
SCHEMBL20105785 0.83 MDM2 (0.58) MDM2
SCHEMBL20106158 0.82 MDM2 (0.55) MDM2
SCHEMBL20105795 0.82 MDM2 (0.63) MDM2

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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