SCHEMBL5138564

SCHEMBL5138564

Cc1nccc(-c2nc(C34CCC(O)(CC3)CC4)[nH]c2-c2ccc3nccnc3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.35
MAPK14 Q16539 6/20 0.35
MTOR P42345 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
RIPK2 O43353 1/20 0.32
KDR P35968 1/20 0.32
ACVR1B P36896 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
SCHEMBL5314473 0.89 TGFBR1 (0.36) TGFBR1MAPK14MTORKDM4EALDH1A1
SCHEMBL5139926 0.85 TGFBR1 (0.35) TGFBR1MAPK14MTOR
SCHEMBL5138279 0.85 TGFBR1 (0.33) TGFBR1MAPK14MTOR
SCHEMBL4343678 0.76 TGFBR1 (0.51) TGFBR1MAPK14MTORRIPK2KDR
SCHEMBL4339418 0.76 TGFBR1 (0.49) TGFBR1MAPK14MTORRIPK2KDR
SCHEMBL5203629 0.75 TGFBR1 (0.32) TGFBR1MAPK14
SCHEMBL4339282 0.75 TGFBR1 (0.62) TGFBR1MAPK14MTORRIPK2KDR
SCHEMBL4350435 0.74 TGFBR1 (0.49) TGFBR1MAPK14MTORRIPK2KDR
SCHEMBL5137949 0.73 TGFBR1 (0.39) TGFBR1MAPK14MTORKDM4EALDH1A1
SCHEMBL5138599 0.71 TGFBR1 (0.34) 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-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
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed