SCHEMBL253184

SCHEMBL253184

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.38
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ABL1 P00519 1/20 0.35
IRAK4 Q9NWZ3 7/20 0.35
KDM4E B2RXH2 1/20 0.35
KIT P10721 1/20 0.34
TBK1 Q9UHD2 6/20 0.33
JAK1 P23458 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
SCHEMBL253702 0.93 SYK (0.39) EGLN2GSK3BABL1IRAK4JAK1
SCHEMBL251083 0.90 CSNK1D (0.37) GSK3B
SCHEMBL250931 0.90 EGLN2 (0.42) EGLN2ABL1TBK1
SCHEMBL251899 0.90 ABL1 (0.36) EGLN2ABL1TBK1
SCHEMBL252762 0.89 JAK1 (0.39) GSK3AGSK3BABL1KDM4EJAK1
SCHEMBL251824 0.88 BRD4 (0.34) GSK3BABL1KITJAK1
SCHEMBL252741 0.87 GSK3B (0.45) GSK3BABL1
SCHEMBL253289 0.86 MAPK14 (0.40) GSK3AGSK3B
SCHEMBL252389 0.86 DYRK1A (0.41) GSK3BABL1KDM4EKITJAK1
SCHEMBL252772 0.85 GRK5 (0.38) GSK3BABL1KDM4EJAK1

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