SCHEMBL5310764

SCHEMBL5310764

O=C(O)N1CCC(c2nc(-c3ccnc(C(F)(F)F)n3)c(-c3ccc4nccnc4c3)[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.40
HTR2B P41595 5/20 0.38
USP30 Q70CQ3 1/20 0.37
MAPK13 O15264 3/20 0.36
MAPK9 P45984 3/20 0.36
MAPK12 P53778 3/20 0.36
MAPK11 Q15759 3/20 0.36
MAPK14 Q16539 3/20 0.36
RBP4 P02753 1/20 0.35
SCN3A Q9NY46 1/20 0.35
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
RPS6KA3 P51812 1/20 0.34
RAF1 P04049 3/20 0.34
BRAF P15056 1/20 0.34
TGFBR1 P36897 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL5151958 0.87 TRPC3 (0.43) TBK1
SCHEMBL5138151 0.74 GRIN2B (0.42) HTR2BUSP30
SCHEMBL5137949 0.73 TGFBR1 (0.39) TBK1MAPK14CSNK1A1CSNK1DRPS6KA3
SCHEMBL5084560 0.72 TGFBR1 (0.54) MAPK14BRAFTGFBR1
SCHEMBL5091521 0.72 KDR (0.40) MAPK9MAPK11MAPK14BRAFTGFBR1
SCHEMBL5139926 0.71 TGFBR1 (0.35) TBK1MAPK14TGFBR1
SCHEMBL5188298 0.70 TGFBR1 (0.49) TBK1USP30MAPK13MAPK9MAPK12
SCHEMBL4342751 0.69 TGFBR1 (0.45) MAPK14TGFBR1
SCHEMBL4026671 0.68 MAPK11 (0.68) MAPK13MAPK9MAPK12MAPK11MAPK14
SCHEMBL4340200 0.67 TGFBR1 (0.48) MAPK14TGFBR1

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 4 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
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