SCHEMBL5237653

SCHEMBL5237653

NC(=O)Oc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.79
THRB P10828 2/20 0.68
MAPK14 Q16539 2/20 0.68
TGFBR2 P37173 1/20 0.65

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
SCHEMBL5234328 0.93 TGFBR1 (0.69) TGFBR1THRBMAPK14TGFBR2
SCHEMBL5238145 0.92 TGFBR1 (0.80) TGFBR1THRBMAPK14TGFBR2
SCHEMBL5240228 0.91 TGFBR1 (0.73) TGFBR1THRBMAPK14TGFBR2
SCHEMBL5237019 0.90 TGFBR1 (0.73) TGFBR1THRBMAPK14TGFBR2
SCHEMBL5239564 0.90 TGFBR1 (0.73) TGFBR1THRBMAPK14
SCHEMBL413112 0.90 TGFBR1 (0.77) TGFBR1THRBMAPK14TGFBR2
SCHEMBL413677 0.89 TGFBR1 (0.77) TGFBR1THRBMAPK14
SCHEMBL373415 0.88 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2
SCHEMBL3362621 0.88 TGFBR1 (0.77) TGFBR1TGFBR2
SCHEMBL5240569 0.88 TGFBR1 (0.76) TGFBR1THRBMAPK14TGFBR2

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-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP claimed