SCHEMBL17846153

SCHEMBL17846153

CCn1ncc2cc(Cl)nc(C[C@H](O)COCC(NC(=O)O)c3ccccc3)c21

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.45

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
SCHEMBL20204245 1.00 MAPK1 (0.45) MAPK1
SCHEMBL20204246 1.00 MAPK1 (0.45) MAPK1
SCHEMBL20204242 0.93 MAPK1 (0.44) MAPK1
SCHEMBL17846021 0.93 MAPK1 (0.44) MAPK1
SCHEMBL17846110 0.86 MAPK1 (0.45) MAPK1
SCHEMBL20204244 0.85 MAPK1 (0.41) MAPK1
SCHEMBL17846151 0.85 MAPK1 (0.41) MAPK1
SCHEMBL19348964 0.83 MAPK1 (0.41) MAPK1
SCHEMBL19350254 0.81 GPR139 (0.35) MAPK1
SCHEMBL17846183 0.81 MAPK1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233859-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
WO-2016100051-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed