SCHEMBL253141

SCHEMBL253141

COc1ccc(-c2ccc3nnc(Sc4cc(NC(=O)C5CC5)c5nccn5n4)n3c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
JAK1 P23458 1/20 0.41
ABL1 P00519 1/20 0.37
JAK2 O60674 1/20 0.36
MET P08581 10/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
GSK3B P49841 2/20 0.33
KIT P10721 1/20 0.33
WNT1 P04628 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
SCHEMBL252421 0.88 KDM4E (0.39) KDRJAK1JAK2KDM4EHSD17B10
SCHEMBL251153 0.84 JAK1 (0.44) JAK1JAK2METPDE3BPDE3A
SCHEMBL253143 0.82 KDR (0.46) KDRJAK1ABL1JAK2MET
SCHEMBL253536 0.82 USP30 (0.41) JAK1ABL1JAK2KDM4EPIK3CD
SCHEMBL251978 0.80 ABL1 (0.36) KDRJAK1ABL1METPDE3B
SCHEMBL253773 0.77 MET (0.36) JAK1JAK2METPDE3BPDE3A
SCHEMBL5955486 0.76 KDR (0.43) KDRJAK1ABL1METKIT
SCHEMBL252762 0.73 JAK1 (0.39) KDRJAK1ABL1JAK2MET
SCHEMBL5955590 0.73 CSNK1D (0.42) KDRJAK1JAK2METGSK3B
SCHEMBL252805 0.71 KDM4E (0.40) JAK1ABL1METKDM4EHSD17B10

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