SCHEMBL20105993

SCHEMBL20105993

CC1CSCCN1c1nc2nc(C(=N)NC(=O)O)nc(N[C@H](C)C3CCC3)c2n1CC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.61

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
SCHEMBL20106137 0.95 MDM2 (0.67) MDM2
SCHEMBL20105529 0.87 MDM2 (0.61) MDM2
SCHEMBL20106123 0.83 MDM2 (0.70) MDM2
SCHEMBL20105283 0.83 MDM2 (0.83) MDM2
SCHEMBL20106136 0.82 MDM2 (0.68) MDM2
SCHEMBL20105885 0.82 MDM2 (0.83) MDM2
SCHEMBL20105992 0.81 MDM2 (0.66) MDM2
SCHEMBL20105802 0.81 MDM2 (0.57) MDM2
SCHEMBL20106490 0.81 MDM2 (0.57) MDM2
SCHEMBL20106130 0.81 MDM2 (0.57) 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