SCHEMBL20105515

SCHEMBL20105515

C#C[C@H]1CC[C@H](Cn2c(N3CCCC[C@H]3CC(C)C)nc3nc(C(=N)NC(=O)O)nc(N[C@H](C)C4CCC4)c32)CC1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 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
SCHEMBL20106170 1.00 MDM2 (0.70) MDM2
SCHEMBL20105761 0.89 MDM2 (0.70) MDM2
SCHEMBL20106132 0.89 MDM2 (0.70) MDM2
SCHEMBL20106192 0.86 MDM2 (0.57) MDM2
SCHEMBL20106291 0.84 MDM2 (0.60) MDM2
SCHEMBL20105463 0.84 MDM2 (0.58) MDM2
SCHEMBL17314858 0.83 MDM2 (0.81) MDM2
SCHEMBL17314883 0.83 MDM2 (0.81) MDM2
SCHEMBL20105727 0.83 MDM2 (0.59) MDM2
SCHEMBL15930806 0.83 MDM2 (1.00) 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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