SCHEMBL252389

SCHEMBL252389

CC(c1cc(NC(=O)C2CC2)c2nccn2n1)c1nnc2ccc(-c3cn[nH]c3)cn12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.41
WNT1 P04628 4/20 0.41
GSK3B P49841 4/20 0.41
JAK1 P23458 2/20 0.39
TYK2 P29597 1/20 0.36
NT5E P21589 1/20 0.35
KIT P10721 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ROCK2 O75116 5/20 0.33
HSP90AA1 P07900 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ROCK1 Q13464 1/20 0.32
CDC42BPA Q5VT25 1/20 0.32

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
SCHEMBL252741 0.88 GSK3B (0.45) DYRK1AWNT1GSK3BABL1DYRK1B
SCHEMBL252762 0.88 JAK1 (0.39) GSK3BJAK1TYK2KDM4EHSD17B10
SCHEMBL251083 0.88 CSNK1D (0.37) GSK3B
SCHEMBL252203 0.86 JAK2 (0.42) GSK3BJAK1TYK2KDM4EHSD17B10
SCHEMBL252805 0.86 KDM4E (0.40) JAK1KDM4EHSD17B10ABL1
SCHEMBL251824 0.86 BRD4 (0.34) DYRK1AWNT1GSK3BJAK1KIT
SCHEMBL253289 0.86 MAPK14 (0.40) GSK3BJAK2
SCHEMBL253184 0.86 EGLN2 (0.38) GSK3BJAK1KITKDM4EABL1
SCHEMBL252772 0.84 GRK5 (0.38) DYRK1AWNT1GSK3BJAK1KDM4E
SCHEMBL253702 0.84 SYK (0.39) GSK3BJAK1JAK2ABL1

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