SCHEMBL14463596

SCHEMBL14463596

Bc1ccc2c(-c3c(-c4ccccn4)nn4c3C(Cl)CC4)ccnc2c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.55
THRB P10828 4/20 0.55
MAPK14 Q16539 4/20 0.55

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
SCHEMBL413299 0.89 TGFBR1 (0.54) TGFBR1THRBMAPK14
SCHEMBL14464019 0.80 TGFBR1 (0.80) TGFBR1THRBMAPK14
SCHEMBL412786 0.78 TGFBR1 (0.53) TGFBR1THRBMAPK14
SCHEMBL409479 0.77 TGFBR1 (0.62) TGFBR1THRBMAPK14
SCHEMBL412184 0.76 TGFBR1 (0.51) TGFBR1THRBMAPK14
SCHEMBL412463 0.76 TGFBR1 (0.53) TGFBR1THRBMAPK14
SCHEMBL412464 0.76 TGFBR1 (0.49) TGFBR1THRBMAPK14
SCHEMBL373710 0.71 TGFBR1 (1.00) TGFBR1THRBMAPK14
SCHEMBL411367 0.69 TGFBR1 (0.54) TGFBR1THRBMAPK14
SCHEMBL8333495 0.69 TGFBR1 (0.72) 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 disclosed