SCHEMBL7367570

SCHEMBL7367570

O=c1ccc(-c2c(-c3ccccc3)nn3ccncc23)nn1C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.48
ADORA1 P30542 1/20 0.40
PIM1 P11309 2/20 0.38
DPP4 P27487 2/20 0.36
KCNH2 Q12809 1/20 0.36
IGF1R P08069 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL7367701 0.91 ADORA1 (0.42) NSD3ADORA1DPP4KCNH2IGF1R
SCHEMBL7371146 0.90 ADORA1 (0.41) NSD3ADORA1DPP4KCNH2IGF1R
SCHEMBL7367704 0.88 ADORA1 (0.40) NSD3ADORA1DPP4KCNH2IGF1R
SCHEMBL7486447 0.88 NSD3 (0.52) NSD3ADORA1DPP4IGF1RDPP8
Hydrochloric Acid SCHEMBL7485696 0.87 NSD3 (0.51) NSD3ADORA1DPP4IGF1RDPP8
SCHEMBL7365777 0.85 ADORA1 (0.39) NSD3ADORA1DPP4KCNH2IGF1R
SCHEMBL7365779 0.85 ADORA1 (0.39) NSD3ADORA1DPP4KCNH2IGF1R
SCHEMBL7492330 0.82 ADORA1 (0.50) NSD3ADORA1PIM1DPP4IGF1R
Hydrochloric Acid SCHEMBL7495672 0.81 ADORA1 (0.49) NSD3ADORA1PIM1DPP4IGF1R
SCHEMBL7373031 0.78 ADORA1 (0.48) ADORA1IGF1RALDH1A1MAPK1

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