SCHEMBL20106040

SCHEMBL20106040

C#C[C@H]1CC[C@H](Cn2c(-c3nccc(C(C)C)c3F)nc3nc(C(=N)NC(=O)O)nc(N[C@H](C)C4CCC4)c32)CC1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.73
▸ TP53 P04637 1/20 0.52

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
SCHEMBL20105377 0.93 MDM2 (0.84) MDM2TP53
SCHEMBL17314334 0.84 MDM2 (1.00) MDM2TP53
SCHEMBL15921918 0.84 MDM2 (1.00) MDM2TP53
SCHEMBL20106479 0.82 MDM2 (0.55) MDM2
SCHEMBL20105631 0.81 MDM2 (0.71) MDM2TP53
SCHEMBL20105801 0.81 MDM2 (0.55) MDM2
SCHEMBL20106399 0.80 MDM2 (0.57) MDM2
SCHEMBL20106163 0.79 MDM2 (0.53) MDM2
SCHEMBL20105793 0.79 MDM2 (0.61) MDM2
SCHEMBL20105905 0.78 MDM2 (0.58) 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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