SCHEMBL20105592

SCHEMBL20105592

CC(Nc1nc(C(=O)O)nc2nc(C3(c4ccccc4)CC3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 1.00

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
SCHEMBL15931576 1.00 MDM2 (1.00) MDM2
SCHEMBL15930744 0.85 MDM2 (1.00) MDM2
SCHEMBL15924328 0.85 MDM2 (1.00) MDM2
SCHEMBL17323757 0.85 MDM2 (1.00) MDM2
SCHEMBL17314727 0.85 MDM2 (1.00) MDM2
SCHEMBL15921914 0.85 MDM2 (1.00) MDM2
SCHEMBL15930874 0.85 MDM2 (1.00) MDM2
SCHEMBL15931274 0.84 MDM2 (0.80) MDM2
SCHEMBL15931017 0.84 MDM2 (1.00) MDM2
SCHEMBL15922021 0.84 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
Send feedback