SCHEMBL5364006

SCHEMBL5364006

Cc1c(C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)c(C)n1Cc1n[nH]cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.52
GPR119 Q8TDV5 1/20 0.34
BRD4 O60885 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
KMT2A Q03164 1/20 0.32
SLC34A1 Q06495 1/20 0.32
RIPK3 Q9Y572 1/20 0.32

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
SCHEMBL5359180 0.87 AR (0.54) ARKMT2A
SCHEMBL5361541 0.81 AR (0.51) ARBRD4FNTAFNTBEGLN2
SCHEMBL5362447 0.80 AR (0.52) ARFNTAFNTB
SCHEMBL5370036 0.80 AR (0.49) ARBRD4FNTAFNTBEGLN2
SCHEMBL5358998 0.79 AR (0.54) ARGPR119BRD4FNTAFNTB
SCHEMBL5359725 0.79 AR (0.48) ARBRD4EGLN2SLC34A1
SCHEMBL5381340 0.79 AR (0.48) ARBRD4FNTAFNTBEGLN2
SCHEMBL5362977 0.78 AR (0.48) ARFNTAFNTBSLC34A1
SCHEMBL5377673 0.78 AR (0.48) ARBRD4FNTAFNTBEGLN2
SCHEMBL5364243 0.77 AR (0.47) ARBRD4FNTAFNTBEGLN2

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