SCHEMBL5237571

SCHEMBL5237571

NS(=O)(=O)c1cc(-c2c(-c3ccccn3)nn3c2CCC3)c2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.71
THRB P10828 7/20 0.66
MAPK14 Q16539 6/20 0.66
TGFBR2 P37173 3/20 0.52
MAP3K20 Q9NYL2 2/20 0.52

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
SCHEMBL372373 0.83 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2
SCHEMBL29832035 0.83 TGFBR1 (0.78) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL373954 0.82 TGFBR1 (0.75) TGFBR1THRBMAPK14TGFBR2
SCHEMBL409531 0.81 TGFBR1 (0.74) TGFBR1THRBMAPK14
SCHEMBL411491 0.80 TGFBR1 (0.80) TGFBR1THRBMAPK14
SCHEMBL413691 0.80 TGFBR1 (0.72) TGFBR1THRBMAPK14TGFBR2
SCHEMBL411832 0.80 TGFBR1 (0.72) TGFBR1THRBMAPK14
SCHEMBL29832286 0.80 TGFBR1 (1.00) TGFBR1THRBMAPK14
SCHEMBL373535 0.80 TGFBR1 (1.00) TGFBR1THRBMAPK14
SCHEMBL411689 0.79 TGFBR1 (0.71) TGFBR1THRBMAPK14

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