SCHEMBL17846201

SCHEMBL17846201

Cn1ncc2cc(Cl)nc(OCCOC[C@@H](NC(N)=O)c3ccccc3)c21

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 19/20 0.45
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL20204239 1.00 MAPK1 (0.45) MAPK1HCAR2
SCHEMBL17846072 0.93 MAPK1 (0.47) MAPK1HCAR2
SCHEMBL19349001 0.89 MAPK1 (0.43) MAPK1
SCHEMBL19349003 0.89 MAPK1 (0.43) MAPK1
SCHEMBL17846172 0.84 BCDIN3D (0.39) MAPK1
SCHEMBL17846039 0.81 MAPK1 (0.38) MAPK1
SCHEMBL17846165 0.78 MAPK1 (0.51) MAPK1
SCHEMBL17846135 0.78 MAPK1 (0.42) MAPK1
SCHEMBL17846043 0.77 MAPK1 (0.44) MAPK1
SCHEMBL17846041 0.77 MAPK1 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233859-B1 BRIDGED PYRAZOLOPYRIDINE DERIVATIVES AS ERK INHIBITORS USEFUL FOR THE TREATEMENT OF CANCER MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-9988397-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
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