SCHEMBL4867435

SCHEMBL4867435

Cc1cccc(-c2nn3ccccc3c2-c2ccc3c(c2)OCCO3)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TGFBR1 P36897 10/20 0.42
MAPK14 Q16539 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
RIPK2 O43353 1/20 0.41
ACVR1B P36896 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 4/20 0.39
HTT P42858 1/20 0.39
GSK3B P49841 2/20 0.39
TGFBR2 P37173 1/20 0.38
MAP3K20 Q9NYL2 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4872959 0.94 TGFBR1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL4862130 0.81 TGFBR1 (0.53) KDM4ETGFBR1MAPK14L3MBTL1THRB
SCHEMBL4873701 0.80 AKT1 (0.46) TGFBR1MAPK14THRBGSK3BTGFBR2
SCHEMBL4872814 0.79 MAPK14 (0.45) TGFBR1MAPK14THRBGSK3BTGFBR2
SCHEMBL4865628 0.78 MAPK14 (0.44) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL4868119 0.78 MAPK14 (0.60) TGFBR1MAPK14THRBGSK3BTGFBR2
SCHEMBL4872159 0.78 TGFBR1 (0.55) MAPTALDH1A1TGFBR1MAPK14THRB
SCHEMBL4869284 0.78 MAPT (0.43) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL4867464 0.78 MAPK14 (0.46) TGFBR1MAPK14THRBGSK3BTGFBR2
SCHEMBL4873746 0.77 TGFBR1 (0.47) TGFBR1MAPK14THRBGSK3BTGFBR2

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
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US claimed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed