SCHEMBL4542371

SCHEMBL4542371

NC(=O)N(c1cc(-c2ocnc2-c2ccc(F)cc2)ccn1)c1cc(N2CCCC2c2ccc(F)cc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.52
MAPK14 Q16539 13/20 0.38
PROKR1 Q8TCW9 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
SCD5 Q86SK9 1/20 0.33
EGFR P00533 1/20 0.32
BMX P51813 1/20 0.32
BTK Q06187 1/20 0.32
ITK Q08881 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
SCHEMBL4538892 0.69 NR3C2 (1.00) NR3C2SCN10A
SCHEMBL4543080 0.68 NR3C2 (0.65) NR3C2PROKR1SCN10A
SCHEMBL4542115 0.67 NR3C2 (1.00) NR3C2MAPK14
SCHEMBL4537659 0.66 NR3C2 (0.61) NR3C2PROKR1
SCHEMBL4538602 0.63 MAPK14 (0.66) NR3C2MAPK14
SCHEMBL6984697 0.63 MAPK14 (0.69) NR3C2MAPK14
SCHEMBL4129691 0.62 NR3C2 (0.52) NR3C2
SCHEMBL1387318 0.61 MAPK14 (0.66) NR3C2MAPK14
SCHEMBL4537373 0.61 MAPK14 (0.66) NR3C2MAPK14
SCHEMBL6963115 0.60 NR3C2 (0.48) NR3C2

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
EP-2638012-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-09-18 EP disclosed
WO-2012064631-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-18 WO disclosed