SCHEMBL5139943

SCHEMBL5139943

c1cc(-c2nc[nH]c2-c2ccc3nccnc3c2)nc(C2CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.48
MAPK14 Q16539 5/20 0.38
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 1/20 0.34
GSK3B P49841 1/20 0.34
MTOR P42345 1/20 0.33
FLT3 P36888 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPK13 O15264 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32

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
SCHEMBL5087298 0.79 TGFBR1 (0.53) TGFBR1MAPK14PIM1PIM2MTOR
SCHEMBL4906300 0.79 TGFBR1 (0.39) TGFBR1MAPK14PIM1PIM2MTOR
SCHEMBL5188298 0.77 TGFBR1 (0.49) TGFBR1MAPK14MTORFLT3MAPK13
SCHEMBL5138279 0.75 TGFBR1 (0.33) TGFBR1MAPK14PIM1MTOR
SCHEMBL5203629 0.73 TGFBR1 (0.32) TGFBR1MAPK14PIM1
SCHEMBL5091521 0.72 KDR (0.40) TGFBR1MAPK14KCNH2MAPK9MAPK11
SCHEMBL20625504 0.71 TGFBR1 (0.83) TGFBR1MAPK14PIM1
SCHEMBL5137949 0.68 TGFBR1 (0.39) TGFBR1MAPK14MTOR
SCHEMBL20625155 0.67 TGFBR1 (0.63) TGFBR1MAPK14MTOR
SCHEMBL18042001 0.66 MAPK14 (0.67) TGFBR1MAPK14MTOR

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 7 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-1786802-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP disclosed
WO-2006026306-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC. (US) 2006-03-09 WO disclosed