SCHEMBL252772

SCHEMBL252772

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 1/20 0.38
ABL1 P00519 1/20 0.33
SYK P43405 9/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
JAK2 O60674 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
JAK3 P52333 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
MAPK14 Q16539 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL253289 0.90 MAPK14 (0.40) SYKJAK2JAK3GSK3BMAPK14
SCHEMBL252203 0.88 JAK2 (0.42) SYKPIK3CGJAK2KDM4EHSD17B10
SCHEMBL252523 0.88 PIK3CD (0.41) SYKPIK3CDPIK3CGJAK2MAPK14
SCHEMBL253702 0.88 SYK (0.39) ABL1SYKPIK3CDPIK3CGJAK2
SCHEMBL251083 0.87 CSNK1D (0.37) SYKGSK3BMAPK14
SCHEMBL252762 0.86 JAK1 (0.39) ABL1SYKPIK3CDPIK3CGJAK2
SCHEMBL252741 0.86 GSK3B (0.45) ABL1WNT1GSK3BDYRK1A
SCHEMBL251824 0.85 BRD4 (0.34) ABL1PIK3CDPIK3CGWNT1GSK3B
SCHEMBL253184 0.85 EGLN2 (0.38) ABL1KDM4EGSK3BJAK1
SCHEMBL252389 0.84 DYRK1A (0.41) ABL1JAK2KDM4EHSD17B10WNT1

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