SCHEMBL5084560

SCHEMBL5084560

CC(C)(C)c1nc(-c2ccnc(C(F)(F)F)n2)c(-c2ccc3nccnc3c2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.54
MTOR P42345 1/20 0.54
BRAF P15056 6/20 0.41
MAPK14 Q16539 5/20 0.38
AAK1 Q2M2I8 1/20 0.35
CYP3A4 P08684 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
SCHEMBL5087298 0.81 TGFBR1 (0.53) TGFBR1MTORBRAFMAPK14
SCHEMBL31718274 0.80 TGFBR1 (0.83) TGFBR1MTORMAPK14
SCHEMBL10000768 0.80 TGFBR1 (0.83) TGFBR1MTORMAPK14
SCHEMBL5188298 0.79 TGFBR1 (0.49) TGFBR1MTORMAPK14AAK1
SCHEMBL5139926 0.77 TGFBR1 (0.35) TGFBR1MTORMAPK14
SCHEMBL4902499 0.74 TGFBR1 (0.46) TGFBR1MTORMAPK14AAK1
SCHEMBL5310764 0.72 TBK1 (0.40) TGFBR1BRAFMAPK14
SCHEMBL29361209 0.70 TGFBR1 (1.00) TGFBR1MTORMAPK14
SCHEMBL373474 0.70 TGFBR1 (1.00) TGFBR1MTORMAPK14
SCHEMBL4098251 0.65 BRAF (0.47) TGFBR1MTORBRAFMAPK14

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