SCHEMBL252805

SCHEMBL252805

COc1ccc(-c2ccc3nnc(C(C)c4cc(NC(=O)C5CC5)c5nccn5n4)n3c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
SYK P43405 5/20 0.36
JAK1 P23458 1/20 0.35
MET P08581 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
GAK O14976 1/20 0.34
ABL1 P00519 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
SCHEMBL252762 0.90 JAK1 (0.39) KDM4EHSD17B10SYKJAK1MET
SCHEMBL252203 0.88 JAK2 (0.42) KDM4EHSD17B10SYKJAK1ALDH1A1
SCHEMBL251083 0.87 CSNK1D (0.37) SYK
SCHEMBL252389 0.86 DYRK1A (0.41) KDM4EHSD17B10JAK1ABL1
SCHEMBL252741 0.86 GSK3B (0.45) METABL1
SCHEMBL253289 0.85 MAPK14 (0.40) SYK
SCHEMBL253184 0.85 EGLN2 (0.38) KDM4EJAK1ABL1
SCHEMBL251824 0.85 BRD4 (0.34) JAK1METABL1
SCHEMBL253130 0.84 HDAC3 (0.40) KDM4EHSD17B10ALDH1A1GRIN2BMAPT
SCHEMBL252772 0.84 GRK5 (0.38) KDM4EHSD17B10SYKJAK1ALDH1A1

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-2588107-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET Takeda Pharmaceutical Company Limited (JP) 2013-05-08 EP disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed