SCHEMBL6983287

SCHEMBL6983287

COc1cc(-c2ccc(=O)n([C@@H]3CCOC3)n2)n(-c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE10A Q9Y233 5/20 0.36
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SPR P35270 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNG7 P62955 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNB1 Q02641 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
SCHEMBL6987206 1.00 PDE1A (0.36) PDE1APDE1BPDE1CPDE10AALDH1A1
SCHEMBL6982802 1.00 PDE1A (0.36) PDE1APDE1BPDE1CPDE10AALDH1A1
SCHEMBL6987042 0.94 PDE10A (0.37) PDE1APDE1BPDE1CPDE10AALDH1A1
SCHEMBL6985903 0.84 FGFR1 (0.37) PDE10AALDH1A1KMT2ASMN1; SMN2MTOR
SCHEMBL6989453 0.76 KMT2A (0.42) ALDH1A1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL6986812 0.73 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2GAATSHR
SCHEMBL6818764 0.71 PDE1A (0.38) PDE1APDE1BPDE1CPIK3CA
SCHEMBL6818413 0.71 PDE1A (0.38) PDE1APDE1BPDE1CPIK3CA
SCHEMBL6824299 0.71 PDE1A (0.38) PDE1APDE1BPDE1CPIK3CA
SCHEMBL6990765 0.71 PTGS2 (0.44) ALDH1A1KMT2ASMN1; SMN2TSHRHTT

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