SCHEMBL7069412

SCHEMBL7069412

CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nn3ccccc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.49
MAPK14 Q16539 2/20 0.49
EGFR P00533 2/20 0.49
RAF1 P04049 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
GSK3B P49841 1/20 0.49
AKT1 P31749 1/20 0.47
PTGS2 P35354 5/20 0.46
MAPK1 P28482 5/20 0.43
PTGS1 P23219 1/20 0.43
IGF1R P08069 2/20 0.42
MAPK3 P27361 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
SCHEMBL8807637 0.78 AKT1 (0.51) ADORA1MAPK14EGFRRAF1ADORA3
SCHEMBL14502354 0.77 AKT1 (0.65) ADORA1MAPK14EGFRRAF1ADORA3
SCHEMBL8809320 0.75 AKT1 (0.54) ADORA1MAPK14EGFRRAF1ADORA3
SCHEMBL8811450 0.75 MAPK14 (0.57) ADORA1MAPK14EGFRRAF1ADORA3
SCHEMBL14502340 0.74 AKT1 (0.60) ADORA1MAPK14EGFRRAF1ADORA3
SCHEMBL5673928 0.74 MAPK14 (0.40) ADORA1MAPK14EGFRRAF1ADORA3
SCHEMBL14592998 0.74 IGF1R (0.45) ADORA1MAPK14EGFRRAF1ADORA3
SCHEMBL5700356 0.73 RORC (0.53) GSK3BPTGS2PTGS1
SCHEMBL8810466 0.73 MAPK14 (0.78) ADORA1MAPK14EGFRRAF1ADORA3
SCHEMBL5760781 0.73 MAPK14 (0.55) ADORA1MAPK14EGFRRAF1ADORA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003045950-A1 PYRAZOLOPYRIDINE DERIVTIVES AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed