SCHEMBL20105584

SCHEMBL20105584

C[C@@H](Nc1nc(C=O)nc2nc(-c3ccc(C(F)(F)F)cc3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CC1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.74

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
SCHEMBL20105195 0.93 MDM2 (0.77) MDM2
SCHEMBL20105558 0.90 MDM2 (0.77) MDM2
SCHEMBL20105494 0.89 MDM2 (0.76) MDM2
SCHEMBL20105327 0.88 MDM2 (0.78) MDM2
SCHEMBL20105194 0.86 MDM2 (0.78) MDM2
SCHEMBL15922959 0.85 MDM2 (1.00) MDM2
SCHEMBL20105456 0.85 MDM2 (0.80) MDM2
SCHEMBL20105234 0.84 MDM2 (0.79) MDM2
SCHEMBL17314491 0.83 MDM2 (0.80) MDM2
SCHEMBL20105590 0.83 MDM2 (0.79) 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
Send feedback