SCHEMBL20105497

SCHEMBL20105497

C[C@@H](Nc1nc(C(=N)NC(=O)O)nc2nc(N3CCCC3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.81
▸ TP53 P04637 1/20 0.70

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
SCHEMBL20105908 0.98 MDM2 (0.84) MDM2TP53
SCHEMBL20105826 0.93 MDM2 (0.72) MDM2TP53
SCHEMBL20105666 0.92 MDM2 (0.84) MDM2TP53
SCHEMBL20105697 0.91 MDM2 (0.85) MDM2TP53
SCHEMBL17314408 0.89 MDM2 (1.00) MDM2TP53
SCHEMBL17314503 0.89 MDM2 (1.00) MDM2TP53
SCHEMBL17314407 0.89 MDM2 (1.00) MDM2TP53
SCHEMBL15931489 0.89 MDM2 (1.00) MDM2TP53
SCHEMBL20105885 0.87 MDM2 (0.83) MDM2
SCHEMBL20105724 0.86 MDM2 (0.73) 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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