SCHEMBL5359676

SCHEMBL5359676

Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1Cn1c(C)c(C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.53
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
GRM6 O15303 1/20 0.32
NTRK1 P04629 1/20 0.31
NTRK2 Q16620 1/20 0.31
EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL5362447 0.93 AR (0.52) ARFNTAFNTBNTRK1NTRK2
SCHEMBL5365950 0.92 AR (0.44) ARFNTAFNTBNTRK1NTRK2
SCHEMBL5367569 0.91 AR (0.57) ARFNTAFNTBNTRK1NTRK2
SCHEMBL5367629 0.83 AR (0.44) AR
SCHEMBL5364006 0.77 AR (0.52) ARFNTAFNTBEGLN2
SCHEMBL5358998 0.74 AR (0.54) ARFNTAFNTBEGLN2
SCHEMBL5359896 0.74 AR (0.43) ARFNTAFNTBNTRK1NTRK2
SCHEMBL5361541 0.72 AR (0.51) ARFNTAFNTBEGLN2
SCHEMBL5370036 0.71 AR (0.49) ARFNTAFNTBEGLN2
SCHEMBL5359725 0.70 AR (0.48) AREGLN2

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