SCHEMBL5139926

SCHEMBL5139926

OC12CCC(c3nc(-c4ccnc(C(F)(F)F)n4)c(-c4ccc5nccnc5c4)[nH]3)(CC1)CC2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.35
TBK1 Q9UHD2 4/20 0.32
MAPK14 Q16539 2/20 0.32
MTOR P42345 1/20 0.32
IDH1 O75874 3/20 0.31
IDH2 P48735 2/20 0.31

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
SCHEMBL5138564 0.85 TGFBR1 (0.35) TGFBR1MAPK14MTOR
SCHEMBL5138279 0.83 TGFBR1 (0.33) TGFBR1MAPK14MTOR
SCHEMBL5084560 0.77 TGFBR1 (0.54) TGFBR1MAPK14MTOR
SCHEMBL5314473 0.74 TGFBR1 (0.36) TGFBR1TBK1MAPK14MTOR
SCHEMBL5188298 0.74 TGFBR1 (0.49) TGFBR1TBK1MAPK14MTORIDH1
SCHEMBL5203629 0.73 TGFBR1 (0.32) TGFBR1MAPK14
SCHEMBL5310764 0.71 TBK1 (0.40) TGFBR1TBK1MAPK14
SCHEMBL4343678 0.70 TGFBR1 (0.51) TGFBR1MAPK14MTOR
SCHEMBL4339282 0.69 TGFBR1 (0.62) TGFBR1MAPK14MTOR
SCHEMBL4902499 0.69 TGFBR1 (0.46) TGFBR1TBK1MAPK14MTORIDH1

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
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 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