SCHEMBL8718458

SCHEMBL8718458

c1cc(-c2nnn[nH]2)c2cccc(Sc3nccs3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.35
PDK1 Q15118 1/20 0.33
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL8043463 0.70 FBP1 (0.47) FBP1PDK1
SCHEMBL8709996 0.69 HDAC6 (0.37) GAA
SCHEMBL1250423 0.67 KDM4E (0.42) GAA
SCHEMBL12615990 0.64 ALDH1A1 (0.38) GAA
SCHEMBL28177930 0.64 FBP1 (0.59) FBP1PDK1MGAMGAASI
SCHEMBL909645 0.63 METAP1 (0.41) FBP1PDK1
SCHEMBL8054533 0.63 FBP1 (0.50) FBP1PDK1MGAMGAASI
SCHEMBL8712510 0.63 FBP1 (0.40) FBP1PDK1
SCHEMBL1496446 0.62 PDPK1 (0.49)
SCHEMBL11833685 0.62 FBP1 (0.67) FBP1PDK1MGAMGAASI

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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed