SCHEMBL17846164

SCHEMBL17846164

Cn1ncc2cc(Cl)nc(CN(CCCC(NC(=O)OC(C)(C)C)c3ccccc3)C(=O)OCC3c4ccccc4-c4ccccc43)c21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.37
MAPK1 P28482 3/20 0.36
RET P07949 1/20 0.34
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
MAPT P10636 1/20 0.32
BACE1 P56817 1/20 0.32
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32
S1PR3 Q99500 1/20 0.31

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
SCHEMBL17846100 0.87 MAPK1 (0.42) MAPK1RETMAPTS1PR3
SCHEMBL17846129 0.78 MAPK1 (0.43) MAPK1RETMAPTS1PR3
SCHEMBL17846204 0.78 MAPK1 (0.39) MAPK1RETMAPTS1PR3
SCHEMBL17846138 0.77 MAPK1 (0.42) MAPK1RETMAPTS1PR3
SCHEMBL17846206 0.77 MAPK1 (0.42) MAPK1RETMAPTS1PR3
SCHEMBL19350261 0.77 MAPK1 (0.42) MAPK1RETMAPT
SCHEMBL17846145 0.76 MAPK1 (0.43) MAPK1
SCHEMBL17846195 0.75 MAPK1 (0.51) MAPK1
SCHEMBL17846220 0.73 MAPT (0.40) MAPK1RETMAPTS1PR3
SCHEMBL17846022 0.71 MAPK1 (0.50) 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