SCHEMBL3397547

SCHEMBL3397547

O=C(Nc1cn2nc(S)ccc2n1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.56
CSNK1D P48730 9/20 0.52
CSNK1E P49674 9/20 0.52
MET P08581 1/20 0.47
HPGD P15428 1/20 0.46
BRAF P15056 1/20 0.46
AURKA O14965 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
FLT1 P17948 1/20 0.45

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
SCHEMBL13756343 0.84 KDR (0.57) KDRCSNK1DCSNK1EMETHPGD
SCHEMBL245728 0.83 KDR (0.56) KDRCSNK1DCSNK1EMETHPGD
SCHEMBL248352 0.83 KDR (0.56) KDRCSNK1DCSNK1EMETHPGD
SCHEMBL23761188 0.80 KDR (0.54) KDRCSNK1DCSNK1EMETAURKA
SCHEMBL13756388 0.80 KDR (0.64) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL2516904 0.76 KDR (0.78) KDRMETBRAFAURKAPDGFRB
SCHEMBL2512785 0.76 CSNK1D (0.56) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL12664031 0.75 CSNK1D (0.52) KDRCSNK1DCSNK1EMET
SCHEMBL17066031 0.74 CSNK1D (0.52) KDRCSNK1DCSNK1EBRAF
SCHEMBL2516614 0.74 KDR (0.48) KDRCSNK1DCSNK1EMETBRAF

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
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
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed