SCHEMBL5201004

SCHEMBL5201004

COC(=O)C12CCC(c3nc(-c4ccc5c(c4)OCO5)c(-c4cccc(C)n4)n3O)(CC1)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.54
MAPK14 Q16539 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RIPK2 O43353 1/20 0.42
ACVR1B P36896 1/20 0.42
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL5200497 0.90 TGFBR1 (0.67) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL4337360 0.81 TGFBR1 (0.81) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL5200243 0.77 TGFBR1 (0.49) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL5315992 0.76 PIK3CA (0.36) TGFBR1MAPK14ALDH1A1KDM4EHPGD
SCHEMBL5930811 0.72 TGFBR1 (0.41) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL4337168 0.71 TGFBR1 (0.85) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL4340190 0.71 TGFBR1 (0.81) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL4337372 0.71 TGFBR1 (0.69) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL4339710 0.70 TGFBR1 (1.00) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL29504100 0.70 TGFBR1 (1.00) TGFBR1MAPK14TDP1RIPK2ACVR1B

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
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed