SCHEMBL6984311

SCHEMBL6984311

CC(C)n1nc(-c2c(OCCN3CCOCC3)cnn2-c2ccccc2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.44
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
POLB P06746 1/20 0.40
PDE9A O76083 2/20 0.40
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
MAPK13 O15264 1/20 0.40
TNF P01375 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
MAOB P27338 1/20 0.39
PDE5A O76074 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
SCHEMBL6984135 0.82 TSHR (0.39) MAPK14ADORA2A
SCHEMBL6985009 0.81 ALDH1A1 (0.38) MAPK14KDM4EDRD1DRD4DRD5
SCHEMBL6988597 0.81 SIGMAR1 (0.53) MAPK14ADORA2AADORA1SIGMAR1
SCHEMBL6822344 0.77 KDM4E (0.43) MAPK14ADORA2AADORA1POLBPDE9A
SCHEMBL6133354 0.74 ADCY10 (0.45) ADORA2AADORA1POLBPDE9APDE1A
SCHEMBL6987611 0.74 SIGMAR1 (0.44) SIGMAR1
SCHEMBL28365254 0.73 SIGMAR1 (0.55) SIGMAR1
SCHEMBL6987843 0.73 HIF1A (0.43) POLB
SCHEMBL6990721 0.72 SIGMAR1 (0.46) SIGMAR1
SCHEMBL6989271 0.72 HIF1A (0.36)

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-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed