SCHEMBL20105471

SCHEMBL20105471

C[C@@H](Nc1nc(C(=O)O)nc2nc(N3C4CCCC3CC4)n(CC3CCCCC3)c12)C1CCC1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.87

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
SCHEMBL15930888 0.93 MDM2 (1.00) MDM2
SCHEMBL17314192 0.93 MDM2 (1.00) MDM2
SCHEMBL20105468 0.90 MDM2 (0.81) MDM2
SCHEMBL20105653 0.84 MDM2 (0.90) MDM2
SCHEMBL20105310 0.83 MDM2 (0.82) MDM2
SCHEMBL15931066 0.82 MDM2 (1.00) MDM2
SCHEMBL17314277 0.82 MDM2 (1.00) MDM2
SCHEMBL15931477 0.81 MDM2 (1.00) MDM2
SCHEMBL17314351 0.80 MDM2 (1.00) MDM2
SCHEMBL17314349 0.80 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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