SCHEMBL4872959

SCHEMBL4872959

Cc1cccc(-c2nn3ccccc3c2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.48
MAPK14 Q16539 2/20 0.48
RIPK2 O43353 1/20 0.48
ACVR1B P36896 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4867435 0.94 NPC1 (0.43) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4862130 0.81 TGFBR1 (0.53) TGFBR1MAPK14MEN1KMT2AKDM4E
SCHEMBL4873701 0.80 AKT1 (0.46) TGFBR1MAPK14MAPK1
SCHEMBL4872814 0.79 MAPK14 (0.45) TGFBR1MAPK14MAPK1
SCHEMBL4868119 0.78 MAPK14 (0.60) TGFBR1MAPK14
SCHEMBL4872159 0.78 TGFBR1 (0.55) TGFBR1MAPK14ALDH1A1MAPTHPGD
SCHEMBL4865628 0.78 MAPK14 (0.44) TGFBR1MAPK14NPC1KDM4EALDH1A1
SCHEMBL4869284 0.78 MAPT (0.43) TGFBR1MAPK14NPC1SMN1; SMN2KDM4E
SCHEMBL4867464 0.78 MAPK14 (0.46) TGFBR1MAPK14MAPK1
SCHEMBL4873746 0.77 TGFBR1 (0.47) TGFBR1MAPK14

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
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US claimed