SCHEMBL5200543

SCHEMBL5200543

Cc1cccc(-c2nc(C34CCC(C(=O)O)(CC3)CC4)[nH]c2-c2ccc3ncnn3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.53
MAPK14 Q16539 8/20 0.53

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
SCHEMBL4336673 0.93 TGFBR1 (0.62) TGFBR1MAPK14
SCHEMBL4336656 0.92 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL4332553 0.91 TGFBR1 (0.55) TGFBR1MAPK14
SCHEMBL21447801 0.89 TGFBR1 (0.51) TGFBR1MAPK14
SCHEMBL4339241 0.88 TGFBR1 (0.40) TGFBR1MAPK14
SCHEMBL5138450 0.88 TGFBR1 (0.39) TGFBR1MAPK14
Hydroxyamine SCHEMBL5321623 0.87 TGFBR1 (0.39) TGFBR1MAPK14
SCHEMBL21447645 0.85 TGFBR1 (0.50) TGFBR1MAPK14
SCHEMBL4347725 0.84 TGFBR1 (0.61) TGFBR1MAPK14
SCHEMBL23421288 0.84 TGFBR1 (0.48) 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 2 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 disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed