SCHEMBL5138450

SCHEMBL5138450

Cc1nccc(-c2nc(C34CCC(C(=O)O)(CC3)CC4)[nH]c2-c2ccc3ncnn3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.39
MAPK14 Q16539 9/20 0.39

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
SCHEMBL5138502 0.92 TGFBR1 (0.40) TGFBR1MAPK14
SCHEMBL5200543 0.88 TGFBR1 (0.53) TGFBR1MAPK14
Hydroxyamine SCHEMBL5321623 0.82 TGFBR1 (0.39) TGFBR1MAPK14
SCHEMBL4336673 0.81 TGFBR1 (0.62) TGFBR1MAPK14
SCHEMBL4336656 0.80 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL4339426 0.79 TGFBR1 (0.54) TGFBR1MAPK14
SCHEMBL4332553 0.79 TGFBR1 (0.55) TGFBR1MAPK14
SCHEMBL4345065 0.77 TGFBR1 (0.41) TGFBR1MAPK14
SCHEMBL21447801 0.77 TGFBR1 (0.51) TGFBR1MAPK14
SCHEMBL4339269 0.74 TGFBR1 (0.42) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786802-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP 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