SCHEMBL7446863

SCHEMBL7446863

COc1ccc(C#Cc2ccc(S(=O)(=O)c3ccccc3)nn2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTR6 P50406 1/20 0.38
PTGS2 P35354 4/20 0.38
PTGS1 P23219 2/20 0.38
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1I2 O75469 1/20 0.36
GRM5 P41594 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7449426 0.83 HTR6 (0.40) HAO1KMT2AMEN1HTR6KDM4E
SCHEMBL7370542 0.81 CA12 (0.54) HAO1GRM5CA12CA1CA2
SCHEMBL7439517 0.81 HAO1 (0.40) HAO1KDM4EGAANR1I2GRM5
SCHEMBL7368039 0.80 GRM5 (0.41) KMT2AMEN1HTR6GRM5KCNH2
SCHEMBL7366863 0.80 HTR6 (0.46) KMT2AMEN1HTR6KDM4EUSP2
SCHEMBL7366907 0.80 CA12 (0.51) GRM5CA12CA1CA2CA9
SCHEMBL6134300 0.79 GRM5 (0.47) HTR6GRM5RAB9ACA12CA1
SCHEMBL7367382 0.78 CA12 (0.43) GAAGRM5KCNH2HTTCA12
SCHEMBL7366843 0.75 GRM5 (0.40) HTR6GAAHPGDHSD17B10GRM5
SCHEMBL7372249 0.75 GRM5 (0.46) HAO1KMT2AMEN1GRM5KCNH2

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-1244669-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-02 EP disclosed
WO-2001040230-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO disclosed