SCHEMBL252741

SCHEMBL252741

C[C@H](c1cc(NC(=O)C2CC2)c2nccn2n1)c1nnc2ccc(-c3cnn(C)c3)cn12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.45
DYRK1A Q13627 18/20 0.45
WNT1 P04628 15/20 0.45
ABL1 P00519 1/20 0.45
DYRK3 O43781 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK4 Q9NR20 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MET P08581 1/20 0.40

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
SCHEMBL251083 0.89 CSNK1D (0.37) GSK3B
SCHEMBL252389 0.88 DYRK1A (0.41) GSK3BDYRK1AWNT1ABL1DYRK1B
SCHEMBL252762 0.88 JAK1 (0.39) GSK3BABL1CLK1MET
SCHEMBL251824 0.87 BRD4 (0.34) GSK3BDYRK1AWNT1ABL1MET
SCHEMBL253289 0.87 MAPK14 (0.40) GSK3B
SCHEMBL253184 0.87 EGLN2 (0.38) GSK3BABL1
SCHEMBL252772 0.86 GRK5 (0.38) GSK3BDYRK1AWNT1ABL1
SCHEMBL252805 0.86 KDM4E (0.40) ABL1MET
SCHEMBL252203 0.86 JAK2 (0.42) GSK3B
SCHEMBL252523 0.85 PIK3CD (0.41)

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