SCHEMBL252203

SCHEMBL252203

COc1cccc(-c2ccc3nnc(C(C)c4cc(NC(=O)C5CC5)c5nccn5n4)n3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.42
PIK3CG P48736 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SYK P43405 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
JAK1 P23458 3/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
SLC2A1 P11166 1/20 0.37
HSD17B10 Q99714 1/20 0.36
FYN P06241 1/20 0.36
GSK3B P49841 2/20 0.36
IKBKB O14920 1/20 0.36

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 0.93 JAK1 (0.39) JAK2PIK3CGALDH1A1SYKJAK1
SCHEMBL253289 0.90 MAPK14 (0.40) JAK2SYKKMT2AGSK3BJAK3
SCHEMBL252805 0.88 KDM4E (0.40) ALDH1A1SYKJAK1KDM4ETSHR
SCHEMBL253702 0.88 SYK (0.39) JAK2PIK3CGSYKJAK1TP53
SCHEMBL252523 0.88 PIK3CD (0.41) JAK2PIK3CGSYKJAK1
SCHEMBL252389 0.86 DYRK1A (0.41) JAK2JAK1KDM4EHSD17B10GSK3B
SCHEMBL252741 0.86 GSK3B (0.45) GSK3B
SCHEMBL253184 0.85 EGLN2 (0.38) JAK1KDM4EGSK3BGSK3A
SCHEMBL251824 0.85 BRD4 (0.34) PIK3CGJAK1GSK3B
SCHEMBL250931 0.83 EGLN2 (0.42)

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