SCHEMBL1551292

SCHEMBL1551292

O=C(Nc1cn2nc(CCc3nnc4ccccn34)ccc2n1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 10/20 0.52
CSNK1E P49674 10/20 0.52
KDR P35968 9/20 0.45
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AURKA O14965 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.40
MET P08581 1/20 0.39

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
SCHEMBL247635 0.86 KDR (0.43) CSNK1DCSNK1EKDRAURKAPDGFRB
SCHEMBL251711 0.78 CSNK1D (0.53) CSNK1DCSNK1EKDRKDM4EALDH1A1
SCHEMBL5954875 0.77 CSNK1D (0.52) CSNK1DCSNK1EKDRAURKAPDGFRB
SCHEMBL5954787 0.76 CSNK1D (0.51) CSNK1DCSNK1EKDRAURKAPDGFRB
SCHEMBL253801 0.76 CSNK1D (0.51) CSNK1DCSNK1EKDRAURKAPDGFRB
SCHEMBL5955070 0.76 KDR (0.42) CSNK1DCSNK1EKDRAURKAPDGFRB
SCHEMBL5955078 0.76 KDR (0.42) CSNK1DCSNK1EKDRMET
SCHEMBL5955206 0.76 KDR (0.43) CSNK1DCSNK1EKDRAURKAPDGFRB
SCHEMBL5955401 0.75 KDR (0.43) CSNK1DCSNK1EKDRMET
SCHEMBL5954582 0.73 GSK3B (0.48) CSNK1DCSNK1E

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-2313407-A1 cMET INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-04-27 EP disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed