SCHEMBL7364072

SCHEMBL7364072

O=c1ccc(-c2c(-c3cccc(Cl)c3)nn3ccncc23)nn1C1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
KCNH2 Q12809 1/20 0.43
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
MAP3K12 Q12852 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
PIM1 P11309 2/20 0.34
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
CREBBP Q92793 1/20 0.34
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
PIK3CD O00329 2/20 0.33
ABL1 P00519 2/20 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
SCHEMBL7365777 0.89 ADORA1 (0.39) DPP4KCNH2DPP8DPP9KDM4C
SCHEMBL7365779 0.89 ADORA1 (0.39) DPP4KCNH2DPP8DPP9KDM4C
SCHEMBL7366165 0.84 ADORA2A (0.38) KDM4CTGFBR1EGFR
SCHEMBL7367704 0.84 ADORA1 (0.40) DPP4KCNH2DPP8DPP9CYP1A2
SCHEMBL7367701 0.77 ADORA1 (0.42) DPP4KCNH2DPP8DPP9CNR2
SCHEMBL7371146 0.76 ADORA1 (0.41) DPP4KCNH2DPP8DPP9CNR2
SCHEMBL7367570 0.75 NSD3 (0.48) DPP4KCNH2DPP8DPP9CYP1A2
SCHEMBL6824299 0.74 PDE1A (0.38) DPP4DPP8DPP9PDE1APDE1B
SCHEMBL6818764 0.74 PDE1A (0.38) DPP4DPP8DPP9PDE1APDE1B
SCHEMBL6818413 0.74 PDE1A (0.38) DPP4DPP8DPP9PDE1APDE1B

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