SCHEMBL20105303

SCHEMBL20105303

CC1CCCN(c2nc3nc(-c4noc(=O)[nH]4)nc(NC(C)C4CCC4)c3n2CC2CCCCC2)C1c1ccccc1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.91
▸ 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
SCHEMBL15930804 0.95 MDM2 (1.00) MDM2TP53
SCHEMBL17314563 0.95 MDM2 (1.00) MDM2TP53
SCHEMBL15931063 0.87 MDM2 (1.00) MDM2TP53
SCHEMBL17314619 0.87 MDM2 (1.00) MDM2TP53
SCHEMBL17314226 0.87 MDM2 (1.00) MDM2TP53
SCHEMBL17314631 0.87 MDM2 (1.00) MDM2TP53
SCHEMBL17314225 0.87 MDM2 (1.00) MDM2TP53
SCHEMBL17314628 0.87 MDM2 (1.00) MDM2TP53
SCHEMBL17314381 0.87 MDM2 (1.00) MDM2TP53
SCHEMBL17314380 0.87 MDM2 (1.00) MDM2TP53

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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