SCHEMBL253289

SCHEMBL253289

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
RIPK1 Q13546 10/20 0.38
GSK3B P49841 2/20 0.36
GSK3A P49840 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
SYK P43405 1/20 0.34
NPY5R Q15761 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
SCHEMBL251083 0.93 CSNK1D (0.37) MAPK14RIPK1GSK3BCSNK1DCSNK1E
SCHEMBL252772 0.90 GRK5 (0.38) MAPK14GSK3BJAK2JAK3SYK
SCHEMBL252203 0.90 JAK2 (0.42) GSK3BGSK3AKMT2AJAK2JAK3
SCHEMBL252523 0.89 PIK3CD (0.41) MAPK14JAK2SYK
SCHEMBL253702 0.89 SYK (0.39) GSK3BJAK2SYK
SCHEMBL252762 0.87 JAK1 (0.39) GSK3BGSK3AKMT2AJAK2JAK3
SCHEMBL252741 0.87 GSK3B (0.45) GSK3B
SCHEMBL250931 0.87 EGLN2 (0.42)
SCHEMBL251899 0.87 ABL1 (0.36)
SCHEMBL251824 0.86 BRD4 (0.34) MAPK14GSK3B

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