SCHEMBL7365779

SCHEMBL7365779

O=c1ccc(-c2c(-c3ccccc3)nn3ccncc23)nn1C1CCOC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.39
DPP4 P27487 2/20 0.34
IL4I1 Q96RQ9 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4C Q9H3R0 3/20 0.33
IGF1R P08069 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32

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 1.00 ADORA1 (0.39) ADORA1DPP4IL4I1KCNH2KDM4C
SCHEMBL7367704 0.94 ADORA1 (0.40) ADORA1DPP4KCNH2IGF1RDPP8
SCHEMBL7366165 0.91 ADORA2A (0.38) ADORA1KDM4CMEN1CASP1CASP7
SCHEMBL7364072 0.89 DPP4 (0.43) DPP4KCNH2KDM4CDPP8DPP9
SCHEMBL7367701 0.87 ADORA1 (0.42) ADORA1DPP4KCNH2IGF1RDPP8
SCHEMBL7371146 0.86 ADORA1 (0.41) ADORA1DPP4KCNH2IGF1RDPP8
SCHEMBL7367570 0.85 NSD3 (0.48) ADORA1DPP4KCNH2IGF1RDPP8
SCHEMBL6824299 0.82 PDE1A (0.38) ADORA1DPP4IGF1RDPP8DPP9
SCHEMBL6818413 0.82 PDE1A (0.38) ADORA1DPP4IGF1RDPP8DPP9
SCHEMBL6818764 0.82 PDE1A (0.38) ADORA1DPP4IGF1RDPP8DPP9

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