SCHEMBL253702

SCHEMBL253702

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
USP30 Q70CQ3 2/20 0.38
GSK3B P49841 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
JAK1 P23458 2/20 0.35
JAK2 O60674 2/20 0.35
MET P08581 1/20 0.35
PDE1A P54750 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE1C Q14123 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE11A Q9HCR9 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ABL1 P00519 1/20 0.34
BRAF P15056 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34

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
SCHEMBL253184 0.93 EGLN2 (0.38) GSK3BJAK1ABL1IRAK4EGLN2
SCHEMBL253289 0.89 MAPK14 (0.40) SYKGSK3BJAK2
SCHEMBL251899 0.88 ABL1 (0.36) PDE4DABL1EGLN2RORC
SCHEMBL250931 0.88 EGLN2 (0.42) PDE4CPDE4DABL1EGLN2
SCHEMBL252203 0.88 JAK2 (0.42) SYKGSK3BTP53THRBJAK1
SCHEMBL252772 0.88 GRK5 (0.38) SYKGSK3BJAK1JAK2ABL1
SCHEMBL252523 0.87 PIK3CD (0.41) SYKJAK1JAK2PIK3CDPIK3CG
SCHEMBL251083 0.86 CSNK1D (0.37) SYKGSK3B
SCHEMBL252762 0.85 JAK1 (0.39) SYKGSK3BTHRBJAK1JAK2
SCHEMBL252741 0.85 GSK3B (0.45) GSK3BMETABL1

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