SCHEMBL252523

SCHEMBL252523

CC(c1cc(NC(=O)C2CC2)c2nccn2n1)c1nnc2ccc(-c3cccc(S(C)(=O)=O)c3)cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.41
PIK3CG P48736 3/20 0.41
KCNH2 Q12809 6/20 0.38
BRD4 O60885 1/20 0.34
CHKA P35790 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PRKDC P78527 1/20 0.33
ATM Q13315 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
SYK P43405 1/20 0.33
PDE4A P27815 1/20 0.33
NR1H2 P55055 1/20 0.33
PIP5K1C O60331 1/20 0.32
PIK3CA P42336 1/20 0.32
MAPK14 Q16539 1/20 0.32
JAK1 P23458 1/20 0.32
F10 P00742 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
SCHEMBL251824 0.93 BRD4 (0.34) PIK3CDPIK3CGKCNH2BRD4CHKA
SCHEMBL253289 0.89 MAPK14 (0.40) SYKMAPK14JAK2
SCHEMBL252203 0.88 JAK2 (0.42) PIK3CGSYKJAK1JAK2
SCHEMBL252772 0.88 GRK5 (0.38) PIK3CDPIK3CGSYKMAPK14JAK1
SCHEMBL253702 0.87 SYK (0.39) PIK3CDPIK3CGSYKJAK1JAK2
SCHEMBL251083 0.86 CSNK1D (0.37) SYKMAPK14
SCHEMBL252741 0.85 GSK3B (0.45)
SCHEMBL252762 0.85 JAK1 (0.39) PIK3CDPIK3CGSYKPIK3CAJAK1
SCHEMBL253184 0.84 EGLN2 (0.38) JAK1
SCHEMBL252389 0.84 DYRK1A (0.41) JAK1JAK2

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