SCHEMBL19492126

SCHEMBL19492126

COC(=O)c1cccc(NCc2nc(-c3ccc4nc(CC(=O)c5ccc(NCc6nc(-c7ccc8ncnn8c7)c(-c7cccc(C)n7)[nH]6)cc5)nn4c3)c(-c3cccc(C)n3)[nH]2)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.81
MAPK14 Q16539 12/20 0.81

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
SCHEMBL249968 0.90 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL250065 0.87 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL12505754 0.83 TGFBR1 (0.88) TGFBR1MAPK14
SCHEMBL249957 0.83 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL249980 0.82 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL246517 0.82 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL12505745 0.82 TGFBR1 (0.88) TGFBR1MAPK14
SCHEMBL249371 0.81 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL250062 0.79 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL249588 0.79 TGFBR1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2947081-B1 2-Pyridyl substituted imidazoles as therapeutic Alk5 and/or Alk4 inhibitors EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-10-18 EP disclosed