SCHEMBL253773

SCHEMBL253773

O=C(Nc1cc(Sc2nnc3ccc(-c4csc(N5CCOCC5)n4)cn23)nn2ccnc12)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.36
AR P10275 5/20 0.36
RAB9A P51151 9/20 0.35
NPC1 O15118 8/20 0.35
SMN1; SMN2 Q16637 7/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HTT P42858 1/20 0.34
JAK1 P23458 2/20 0.34
JAK2 O60674 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 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
SCHEMBL251153 0.85 JAK1 (0.44) METPDE3BPDE3AJAK1JAK2
SCHEMBL253774 0.84 CSNK1D (0.41) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL252421 0.79 KDM4E (0.39) MAPTJAK1JAK2HSD17B10GSK3B
SCHEMBL253536 0.77 USP30 (0.41) JAK1JAK2GSK3B
SCHEMBL253141 0.77 KDR (0.43) METPDE3BPDE3AJAK1JAK2
SCHEMBL251978 0.75 ABL1 (0.36) METPDE3BPDE3AJAK1
SCHEMBL251154 0.70 JAK1 (0.49) METPDE3BPDE3AJAK1JAK2
SCHEMBL5955578 0.69 JAK1 (0.43) METMAPTPDE3BPDE3AJAK1
SCHEMBL5955517 0.67 CSNK1D (0.43) GSK3B
SCHEMBL5954413 0.67 CSNK1D (0.42) METJAK1

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