SCHEMBL21367073

SCHEMBL21367073

CC(C)(C)OC(=O)C1C=C(Br)C=CN1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33

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
SCHEMBL27485197 0.70 MAPK1 (0.33) MAPK1
SCHEMBL12035184 0.68 LMNA (0.34)
SCHEMBL28313631 0.67 MAPK1 (0.31) MAPK1
SCHEMBL23007075 0.65 NFKB1 (0.38) MAPK1
SCHEMBL29054770 0.62 MAPK1 (0.39) MAPK1
SCHEMBL20224875 0.62 MAPK1 (0.39) MAPK1
SCHEMBL29797163 0.62 RECQL (0.34) MAPK1
SCHEMBL151606 0.62 RECQL (0.34) MAPK1
SCHEMBL7849903 0.62 MAPK1 (0.33) MAPK1
SCHEMBL29769053 0.61 MAPK1 (0.32) MAPK1

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
WO-2019177873-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2019-09-19 WO disclosed