SCHEMBL6985009

SCHEMBL6985009

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
KAT2B Q92831 1/20 0.35
HIF1A Q16665 1/20 0.34
HTR7 P34969 1/20 0.34
HTT P42858 1/20 0.34
MAPK14 Q16539 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 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
SCHEMBL6984135 0.86 TSHR (0.39) ALDH1A1HIF1AHTTMAPK14TSHR
SCHEMBL6984311 0.81 MAPK14 (0.44) KDM4EMAPK14DRD1DRD4DRD5
SCHEMBL6983312 0.79 HTT (0.37) ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL6987843 0.77 HIF1A (0.43) ALDH1A1HIF1AHTTTSHRSMN1; SMN2
SCHEMBL6989271 0.76 HIF1A (0.36) ALDH1A1HIF1AHTTTSHRSMN1; SMN2
SCHEMBL6984146 0.76 HIF1A (0.42) ALDH1A1HIF1AHTTTSHRSMN1; SMN2
SCHEMBL6822507 0.74 HTR7 (0.38) ALDH1A1KDM4EHTR7SMN1; SMN2HRH3
SCHEMBL6983980 0.74 HIF1A (0.40) ALDH1A1KDM4EHIF1AHTTSMN1; SMN2
SCHEMBL6984423 0.74 ATM (0.38) ALDH1A1HTT
SCHEMBL6135333 0.71 HTR7 (0.39) ALDH1A1KDM4EHTR7SMN1; SMN2

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