SCHEMBL7365508

SCHEMBL7365508

O=c1ccc(-c2c(-c3ccccc3)nn3ccncc23)nn1Cc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.47
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IGF1R P08069 1/20 0.35
POLB P06746 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34
ADORA2A P29274 2/20 0.33
MAPK1 P28482 1/20 0.33
MET P08581 2/20 0.33
HDAC1 Q13547 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3616432 0.89 ADORA1 (0.59) ADORA1MEN1KMT2AIGF1RPOLB
SCHEMBL7364039 0.83 ADORA1 (0.54) ADORA1MEN1KMT2AIGF1RPOLB
SCHEMBL7365823 0.82 ADORA1 (0.50) ADORA1POLBPTGS1PTGS2ADORA2A
SCHEMBL7368729 0.80 ADORA1 (0.52) ADORA1MEN1KMT2AIGF1RPOLB
SCHEMBL7370080 0.80 ADORA1 (0.48) ADORA1MEN1KMT2AIGF1RPOLB
SCHEMBL7362339 0.79 ADORA1 (0.60) ADORA1MEN1KMT2AIGF1R
SCHEMBL7364802 0.78 ADORA1 (0.52) ADORA1MEN1KMT2AIGF1RMAPK1
SCHEMBL7373031 0.76 ADORA1 (0.48) ADORA1KMT2AIGF1RPTGS1ADORA2A
SCHEMBL7291999 0.73 ADORA1 (0.63) ADORA1MEN1KMT2AIGF1RPOLB
SCHEMBL4240548 0.72 FGFR1 (0.43) ADORA1IGF1RMAPK1

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