SCHEMBL5137950

SCHEMBL5137950

CSc1nccc(-c2[nH]c(-c3ccc(C#N)cc3)nc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.69
MAPK14 Q16539 6/20 0.69
MAPK13 O15264 1/20 0.69
MAPK12 P53778 1/20 0.69
MAPK11 Q15759 1/20 0.69
CSNK1D P48730 3/20 0.55
JAK3 P52333 1/20 0.51
ACVR1B P36896 3/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
RIPK2 O43353 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PRKD3 O94806 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL5166006 0.84 TGFBR1 (0.70) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5503286 0.83 TGFBR1 (0.74) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL373802 0.82 TGFBR1 (1.00) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4154047 0.76 TGFBR1 (0.89) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4084904 0.74 TGFBR1 (0.84) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13217778 0.73 TGFBR1 (0.62) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13217791 0.72 TGFBR1 (0.60) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13382571 0.72 KDM4E (0.47) TGFBR1MAPK14JAK3ACVR1BALDH1A1
SCHEMBL28825919 0.71 TGFBR1 (0.82) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13217617 0.70 TGFBR1 (0.60) TGFBR1MAPK14MAPK13MAPK12MAPK11

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 9 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
EP-1786802-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
WO-2006026306-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC. (US) 2006-03-09 WO claimed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
EP-1786802-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
WO-2006026306-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC. (US) 2006-03-09 WO disclosed