SCHEMBL13604148

SCHEMBL13604148

CC1(C(=O)Nc2nc(Cc3ccc(Br)cc3)c[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.49
PGR P06401 4/20 0.49
ESR1 P03372 2/20 0.49
AR P10275 3/20 0.38
PREP P48147 1/20 0.30
FAP Q12884 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
SCHEMBL11961986 0.95 NR3C1 (0.51) NR3C1PGRESR1AR
SCHEMBL13604157 0.91 NR3C1 (0.48) NR3C1PGRESR1AR
SCHEMBL11961415 0.91 NR3C1 (0.48) NR3C1PGRESR1ARPREP
SCHEMBL14196989 0.86 NR3C1 (0.55) NR3C1PGRESR1AR
SCHEMBL13604161 0.84 NR3C1 (0.50) NR3C1PGRESR1AR
SCHEMBL12864651 0.83 NR3C1 (0.53) NR3C1PGRESR1ARPREP
SCHEMBL13611419 0.80 NR3C1 (0.49) NR3C1PGRESR1AR
SCHEMBL13604147 0.80 NR3C1 (0.59) NR3C1PGRESR1AR
SCHEMBL11961002 0.79 NR3C1 (0.50) NR3C1PGRESR1AR
SCHEMBL14196986 0.79 NR3C1 (0.54) NR3C1PGRESR1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625921-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-7625921-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed