SCHEMBL9528801

SCHEMBL9528801

CSc1nnc(-c2ccncc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.46
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
MAPK14 Q16539 4/20 0.46
ALOX5 P09917 2/20 0.39
MAPK9 P45984 2/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MATK P42679 1/20 0.39
FRK P42685 1/20 0.39
GCGR P47871 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CSNK1G2 P78368 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
SCHEMBL16896271 0.84 LMNA (0.40) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL9331958 0.82 L3MBTL1 (0.53) L3MBTL1LMNAMAPTKDM4EALDH1A1
SCHEMBL23752482 0.79 NPC1 (0.53) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL10000033 0.79 LMNA (0.53) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL416380 0.77 NPC1 (0.44) MAPK14GCGRKDM4EALDH1A1NPC1
SCHEMBL420012 0.74 MGAM (0.43) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL16896257 0.73 BTK (0.44) LMNAMAPTKDM4EALDH1A1NPC1
SCHEMBL6410220 0.71 MAPK14 (0.55) MAPK14L3MBTL1LMNAMAPTKDM4E
SCHEMBL14392319 0.71 BRAF (0.41) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL12877465 0.71 TGFBR1 (0.42) MAPK13MAPK12MAPK11MAPK14MAPK9

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-0276793-B1 3-ARYL-5-ALKYLTHIO-4H-1,2,4-TRIAZOLES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-16 EP disclosed