SCHEMBL6988697

SCHEMBL6988697

COc1ccccc1-n1nccc1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.43
PDE10A Q9Y233 6/20 0.39
MGLL Q99685 1/20 0.36
APLNR P35414 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
MAPK14 Q16539 2/20 0.35
UGCG Q16739 1/20 0.35
MAPK11 Q15759 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.34
CACNA1B Q00975 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
SCHEMBL6987568 0.83 BMPR1B (0.35) NR3C2ADORA3ADORA1ADORA2ATP53
SCHEMBL6981881 0.80 PDE10A (0.43) NR3C2PDE10AMAPK14TP53
SCHEMBL6987158 0.80 MEN1 (0.46)
SCHEMBL6988129 0.79 TSHR (0.40) TP53
SCHEMBL6987522 0.79 KMT2A (0.38)
SCHEMBL6986889 0.75 L3MBTL1 (0.40) MGLL
SCHEMBL6986812 0.69 ALDH1A1 (0.40) NPSR1
SCHEMBL7370829 0.68 NR3C2 (0.44) NR3C2MAPK14NPSR1TP53
SCHEMBL28147852 0.68 ALDH1A1 (0.57) NR3C2CACNA1B
SCHEMBL6824757 0.67 ADORA1 (0.38) ADORA1MAPK14TP53

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