SCHEMBL7365823

SCHEMBL7365823

O=c1ccc(-c2c(-c3ccccc3)nn3ccncc23)nn1Cc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.50
ADORA2A P29274 3/20 0.43
HDAC1 Q13547 1/20 0.42
MET P08581 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
POLB P06746 1/20 0.41
P2RX7 Q99572 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CHRM1 P11229 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL7364039 0.86 ADORA1 (0.54) ADORA1POLBPDE4APDE4BPDE4C
SCHEMBL7368729 0.83 ADORA1 (0.52) ADORA1ADORA2APOLBPTGDR2PDE4A
SCHEMBL7370080 0.83 ADORA1 (0.48) ADORA1POLB
SCHEMBL7365508 0.82 ADORA1 (0.47) ADORA1ADORA2AHDAC1METPOLB
SCHEMBL7362339 0.82 ADORA1 (0.60) ADORA1
SCHEMBL7304113 0.82 ADORA1 (0.68) ADORA1POLBPTGDR2PDE4APDE4B
SCHEMBL7364802 0.81 ADORA1 (0.52) ADORA1HDAC1
SCHEMBL7291999 0.80 ADORA1 (0.63) ADORA1ADORA2AHDAC1POLBPTGDR2
SCHEMBL7373031 0.79 ADORA1 (0.48) ADORA1ADORA2APTGS1
SCHEMBL28158481 0.77 HDAC1 (0.61) ADORA1ADORA2AHDAC1METIRAK4

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