SCHEMBL2932162

SCHEMBL2932162

Cc1ncc(S)c(-c2c(-c3ccc(F)cc3)nc3nn(CCCO)cc3c2-c2ccc(F)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.35
CSNK1D P48730 3/20 0.34
MAP4K4 O95819 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PDE4D Q08499 1/20 0.33
CSNK1E P49674 1/20 0.33
TGFBR1 P36897 4/20 0.32
NTRK1 P04629 1/20 0.32
TGFBR2 P37173 2/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PTGS2 P35354 1/20 0.31
ADORA2B P29275 1/20 0.30

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
SCHEMBL2929315 0.83 CSNK1D (0.37) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL2929628 0.80 MAPK14 (0.49) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL29332356 0.80 MAPK14 (0.48) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL1384383 0.78 MAPK9 (0.46) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL1384559 0.77 MAPK14 (0.46) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL1384398 0.76 CSNK1D (0.43) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL1385618 0.76 MAPK14 (0.42) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL1386713 0.75 PTGS2 (0.38) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL1384371 0.73 MAPK14 (0.43) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL1383998 0.73 MAPK14 (0.47) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1

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
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP disclosed