SCHEMBL20105556

SCHEMBL20105556

CC(C)c1ccnc(-c2nc3nc(C=O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2N)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.81
▸ TP53 P04637 2/20 0.66

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
SCHEMBL17314491 0.91 MDM2 (0.80) MDM2TP53
SCHEMBL15922508 0.89 MDM2 (1.00) MDM2TP53
SCHEMBL17314573 0.89 MDM2 (0.90) MDM2TP53
SCHEMBL20105960 0.82 MDM2 (0.84) MDM2TP53
SCHEMBL20105168 0.81 MDM2 (0.82) MDM2TP53
SCHEMBL20105671 0.81 MDM2 (0.70) MDM2TP53
SCHEMBL15922511 0.81 MDM2 (0.85) MDM2TP53
SCHEMBL20106005 0.81 MDM2 (0.88) MDM2TP53
SCHEMBL15931088 0.80 MDM2 (1.00) MDM2TP53
SCHEMBL15931328 0.80 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
Send feedback