SCHEMBL251978

SCHEMBL251978

O=C(Nc1cc(Sc2nnc3ccc(-c4cccc(CCCO)c4)cn23)nn2ccnc12)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.36
MET P08581 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
SLC5A1 P13866 10/20 0.33
CHRM3 P20309 1/20 0.32
SYK P43405 1/20 0.32
JAK1 P23458 3/20 0.32
KDR P35968 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
SCHEMBL253536 0.85 USP30 (0.41) ABL1SYKJAK1
SCHEMBL251980 0.83 KDR (0.41) ABL1JAK1KDR
SCHEMBL253141 0.80 KDR (0.43) ABL1METPDE3BPDE3AJAK1
SCHEMBL252421 0.80 KDM4E (0.39) SYKJAK1KDR
SCHEMBL251153 0.79 JAK1 (0.44) METPDE3BPDE3AJAK1
SCHEMBL253773 0.75 MET (0.36) METPDE3BPDE3AJAK1
SCHEMBL253289 0.69 MAPK14 (0.40) SYK
SCHEMBL2747202 0.69 KDR (0.47) KDR
SCHEMBL2748206 0.68 MET (0.47) METPDE3BPDE3AKDR
SCHEMBL252772 0.68 GRK5 (0.38) ABL1SYKJAK1

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