SCHEMBL18569003

SCHEMBL18569003

Cn1cc(SNc2cccc3cc(C4=NCCS4)[nH]c23)cn1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
TTK P33981 1/20 0.31
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18569005 0.82
SCHEMBL18569097 0.81 MAPK1 (0.32) MAPK1HSD17B10
SCHEMBL1654346 0.79 TUBB4A (0.43) CCNA2CDK2TTK
SCHEMBL18568748 0.79
SCHEMBL18568867 0.78 MAPK1 (0.31) MAPK1HSD17B10
SCHEMBL18568972 0.78 MAPK1 (0.32) MAPK1HSD17B10
SCHEMBL1654258 0.77 MAPK1 (0.38) MAPK1HSD17B10
SCHEMBL18568992 0.77 MAPK1 (0.31) MAPK1HSD17B10
SCHEMBL18569072 0.76 MAPK1 (0.31) MAPK1HSD17B10
SCHEMBL18568656 0.75 MAPK1 (0.31) MAPK1HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308839-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed