SCHEMBL5362447

SCHEMBL5362447

Cc1c(C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)c(C)n1Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.52
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
NTRK1 P04629 1/20 0.31
NTRK2 Q16620 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL5359676 0.93 AR (0.53) ARFNTAFNTBNTRK1NTRK2
SCHEMBL5367569 0.90 AR (0.57) ARFNTAFNTBNTRK1NTRK2
SCHEMBL5365950 0.85 AR (0.44) ARFNTAFNTBNTRK1NTRK2
SCHEMBL5364006 0.80 AR (0.52) ARFNTAFNTB
SCHEMBL5367629 0.76 AR (0.44) AR
SCHEMBL5359896 0.75 AR (0.43) ARFNTAFNTBNTRK1NTRK2
SCHEMBL5358998 0.73 AR (0.54) ARFNTAFNTB
SCHEMBL5361541 0.73 AR (0.51) ARFNTAFNTB
SCHEMBL5370036 0.70 AR (0.49) ARFNTAFNTB
SCHEMBL5359725 0.69 AR (0.48) ARPTGDR2

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
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed