SCHEMBL5240477

SCHEMBL5240477

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

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.69
THRB P10828 2/20 0.65
MAPK14 Q16539 2/20 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
SCHEMBL5233542 0.94 TGFBR1 (0.68) TGFBR1THRBMAPK14
SCHEMBL5231734 0.92 TGFBR1 (0.67) TGFBR1
SCHEMBL5236049 0.92 TGFBR1 (0.67) TGFBR1THRBMAPK14
SCHEMBL5236693 0.92 TGFBR1 (0.69) TGFBR1
SCHEMBL5240971 0.91 TGFBR1 (0.69) TGFBR1
SCHEMBL5240902 0.91 TGFBR1 (0.69) TGFBR1
SCHEMBL5238797 0.91 TGFBR1 (0.64) TGFBR1THRBMAPK14
SCHEMBL5239961 0.91 TGFBR1 (0.64) TGFBR1THRBMAPK14
SCHEMBL5234991 0.91 TGFBR1 (0.68) TGFBR1THRBMAPK14
SCHEMBL5237019 0.90 TGFBR1 (0.73) 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