SCHEMBL18568596

SCHEMBL18568596

CN(Sc1cccs1)c1cccc2cc(-c3ncc(CCC(=O)NN)s3)[nH]c12

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL18568741 0.91 GCK (0.31) GCK
SCHEMBL18568986 0.90 GCK (0.36) GCK
SCHEMBL18568898 0.90 GCK (0.36) GCKCYP2C8CYP2C9HCAR2
SCHEMBL18568743 0.87 GCK (0.34) GCK
SCHEMBL18568913 0.85
SCHEMBL18569087 0.85 SRC (0.30)
SCHEMBL1653836 0.84 MAPT (0.34) GCK
SCHEMBL18569106 0.84 HTR2C (0.34)
SCHEMBL18569002 0.84
SCHEMBL18569067 0.84

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