SCHEMBL7991782

SCHEMBL7991782

N#Cc1ccccc1-c1ccc(Cn2cnc(N)c2C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 3/20 0.43
PRKAA1 Q13131 3/20 0.43
PRKAB1 Q9Y478 3/20 0.43
EGLN1 Q9GZT9 1/20 0.43
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
DPP8 Q6V1X1 1/20 0.41
ESR2 Q92731 1/20 0.41
PPARG P37231 2/20 0.41
BRS3 P32247 1/20 0.39
ADRA1D P25100 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 2/20 0.39
MME P08473 1/20 0.39
CNR2 P34972 1/20 0.39
ADORA2A P29274 2/20 0.38

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
SCHEMBL7984484 0.82 PKM (0.50) ADRA1DGAAPKMTSHRADORA2A
SCHEMBL7984273 0.82 PPARG (0.40) PRKAG1PRKAA1PRKAB1EGLN1FFAR1
SCHEMBL5483136 0.79 PKM (0.59) EGLN1ADRA1DGAAPKMTSHR
Hydrochloric Acid SCHEMBL7987445 0.78 PKM (0.57) EGLN1ADRA1DGAAPKMTSHR
SCHEMBL7987743 0.75 SCD (0.50) ADRA1DGAAPKMTSHR
SCHEMBL7987690 0.74 PKM (0.43) GAAPKMTSHR
SCHEMBL7988530 0.74 SMN1; SMN2 (0.46) GAAPKMTSHR
SCHEMBL9200139 0.74 CYP11B1 (0.64) PRKAG1PRKAA1PRKAB1PPARGTSHR
SCHEMBL7987490 0.72 ADORA2A (0.44) GAAPKMTSHRADORA2A
SCHEMBL7984250 0.72 PARP10 (0.53) FFAR1GAAPKMTSHR

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed