SCHEMBL20106255

SCHEMBL20106255

CC1CCC(Cn2c(C(C)c3ccc(F)cc3)nc3nc(C(=N)NC(=O)O)nc(N[C@H](C)C4CCC4)c32)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.64
▸ TP53 P04637 1/20 0.56

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
SCHEMBL20106063 0.94 MDM2 (0.63) MDM2TP53
SCHEMBL20106102 0.94 MDM2 (0.63) MDM2TP53
SCHEMBL20106254 0.92 MDM2 (0.54) MDM2TP53
SCHEMBL20105686 0.89 MDM2 (0.65) MDM2
SCHEMBL20105689 0.89 MDM2 (0.65) MDM2
SCHEMBL20106064 0.88 MDM2 (0.55) MDM2TP53
SCHEMBL20106361 0.88 MDM2 (0.67) MDM2
SCHEMBL20105676 0.87 MDM2 (0.66) MDM2
SCHEMBL20106119 0.86 MDM2 (0.65) MDM2
SCHEMBL20106392 0.86 MDM2 (0.65) 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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