SCHEMBL5138599

SCHEMBL5138599

Cc1nccc(-c2[nH]c(C34CCC(O)(CC3)CC4)nc2-c2ccc3nncn3c2)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.34
LRRK2 Q5S007 2/20 0.33
DNMT1 P26358 1/20 0.32
MAPK14 Q16539 1/20 0.31
MAPK1 P28482 1/20 0.30

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 0.71 TGFBR1 (0.35) TGFBR1MAPK14
SCHEMBL5200702 0.65 TGFBR1 (0.42) TGFBR1MAPK14
SCHEMBL4347725 0.60 TGFBR1 (0.61) TGFBR1MAPK14
SCHEMBL5314473 0.60 TGFBR1 (0.36) TGFBR1MAPK14
SCHEMBL4336673 0.60 TGFBR1 (0.62) TGFBR1MAPK14
SCHEMBL23292014 0.59 DNMT1 (0.49) TGFBR1LRRK2DNMT1MAPK14MAPK1
SCHEMBL30557195 0.59 DNMT1 (0.49) TGFBR1LRRK2DNMT1MAPK14MAPK1
SCHEMBL5138279 0.58 TGFBR1 (0.33) TGFBR1MAPK14
SCHEMBL5139926 0.58 TGFBR1 (0.35) TGFBR1MAPK14
Hydrochloric Acid SCHEMBL30557306 0.58 DNMT1 (0.48) TGFBR1LRRK2DNMT1MAPK14MAPK1

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