SCHEMBL253536

SCHEMBL253536

N#Cc1cccc(-c2ccc3nnc(Sc4cc(NC(=O)C5CC5)c5nccn5n4)n3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.41
SYK P43405 1/20 0.37
GSK3B P49841 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.35
BRAF P15056 1/20 0.35
JAK1 P23458 4/20 0.35
JAK2 O60674 3/20 0.34
EGLN2 Q96KS0 1/20 0.34
ABL1 P00519 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
PAX8 Q06710 1/20 0.33
RORC P51449 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PIK3C3 Q8NEB9 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
SCHEMBL251978 0.85 ABL1 (0.36) SYKJAK1ABL1
SCHEMBL253702 0.82 SYK (0.39) USP30SYKGSK3BTP53THRB
SCHEMBL253537 0.82 KDR (0.43) USP30GSK3BBRAFJAK1PIK3CD
SCHEMBL253141 0.82 KDR (0.43) GSK3BJAK1JAK2ABL1PIK3CD
SCHEMBL252421 0.82 KDM4E (0.39) SYKGSK3BTHRBJAK1JAK2
SCHEMBL251153 0.80 JAK1 (0.44) GSK3BJAK1JAK2
SCHEMBL253773 0.77 MET (0.36) GSK3BJAK1JAK2
SCHEMBL253184 0.75 EGLN2 (0.38) GSK3BJAK1EGLN2ABL1KDM4E
SCHEMBL253289 0.71 MAPK14 (0.40) SYKGSK3BJAK2JAK3
SCHEMBL250931 0.70 EGLN2 (0.42) EGLN2ABL1

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