SCHEMBL3359547

SCHEMBL3359547

CN(C)CCCOc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)cc(=O)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.68
TGFBR2 P37173 1/20 0.52
MAP3K20 Q9NYL2 1/20 0.50
THRB P10828 2/20 0.49
MAPK14 Q16539 1/20 0.48

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
SCHEMBL18451966 0.85 TGFBR1 (0.73) TGFBR1TGFBR2THRBMAPK14
SCHEMBL412367 0.84 TGFBR1 (0.94) TGFBR1TGFBR2THRBMAPK14
SCHEMBL373822 0.81 TGFBR1 (1.00) TGFBR1TGFBR2THRBMAPK14
SCHEMBL412606 0.81 TGFBR1 (0.69) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL409714 0.80 TGFBR1 (1.00) TGFBR1TGFBR2THRBMAPK14
SCHEMBL412661 0.78 TGFBR1 (0.85) TGFBR1TGFBR2THRBMAPK14
SCHEMBL3359663 0.77 TGFBR1 (0.92) TGFBR1TGFBR2THRBMAPK14
SCHEMBL6111629 0.77 TGFBR1 (0.76) TGFBR1TGFBR2
SCHEMBL8324394 0.76 TGFBR1 (0.88) TGFBR1TGFBR2THRBMAPK14
SCHEMBL407846 0.75 TGFBR1 (0.79) TGFBR1TGFBR2THRBMAPK14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP claimed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO claimed
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed