SCHEMBL251824

SCHEMBL251824

CC(c1cc(NC(=O)C2CC2)c2nccn2n1)c1nnc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
RAD52 P43351 1/20 0.34
KCNH2 Q12809 2/20 0.34
PDE4A P27815 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CG P48736 2/20 0.33
MET P08581 1/20 0.33
ABL1 P00519 1/20 0.33
LRRK2 Q5S007 3/20 0.33
CHKA P35790 1/20 0.33
KIT P10721 3/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
TTK P33981 2/20 0.32
MTOR P42345 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
STK38 Q15208 1/20 0.32

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
SCHEMBL252523 0.93 PIK3CD (0.41) BRD4KCNH2PDE4APIK3CDPIK3CG
SCHEMBL251083 0.90 CSNK1D (0.37) GSK3BMAPK14
SCHEMBL252762 0.89 JAK1 (0.39) PIK3CDPIK3CGMETABL1GSK3B
SCHEMBL253184 0.88 EGLN2 (0.38) ABL1KITGSK3BJAK1
SCHEMBL252741 0.87 GSK3B (0.45) METABL1WNT1GSK3BDYRK1A
SCHEMBL253289 0.86 MAPK14 (0.40) GSK3BMAPK14
SCHEMBL252389 0.86 DYRK1A (0.41) ABL1KITWNT1GSK3BDYRK1A
SCHEMBL252805 0.85 KDM4E (0.40) METABL1JAK1
SCHEMBL252772 0.85 GRK5 (0.38) PIK3CDPIK3CGABL1WNT1GSK3B
SCHEMBL252203 0.85 JAK2 (0.42) PIK3CGGSK3BJAK1

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