SCHEMBL4332948

SCHEMBL4332948

Fc1ccc(-c2n[nH]c3ccc(I)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 9/20 0.49
NTRK1 P04629 2/20 0.47
CSNK1D P48730 2/20 0.47
HTR2A P28223 1/20 0.47
MAPK1 P28482 6/20 0.47
MAPK6 Q16659 5/20 0.47
MAPKAPK3 Q16644 4/20 0.47
MAPKAPK2 P49137 2/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MAPKAPK5 Q8IW41 1/20 0.46
MAPK13 O15264 1/20 0.46
GCGR P47871 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DCLK1 O15075 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45

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
SCHEMBL30415837 1.00 MAP2K4 (0.49) MAP2K4NTRK1CSNK1DHTR2AMAPK1
SCHEMBL27649536 0.83 HTR2A (0.47) MAP2K4CSNK1DHTR2AMAPK1MAPK6
SCHEMBL2469031 0.80 AXL (0.55) MAP2K4NTRK1CSNK1DHTR2AMAPK1
SCHEMBL14359839 0.80 MAP2K4 (0.62) MAP2K4NTRK1CSNK1DMAPK1MAPK6
SCHEMBL5374591 0.80 MAP2K4 (0.71) MAP2K4NTRK1CSNK1DMAPK1MAPK6
SCHEMBL4734012 0.80 CSNK1D (0.71) MAP2K4NTRK1CSNK1DHTR2AMAPK1
Hydrochloric Acid SCHEMBL27750634 0.79 AXL (0.54) MAP2K4NTRK1CSNK1DHTR2AMAPK1
SCHEMBL8437976 0.79 MKNK1 (0.74) MAP2K4CSNK1DMAPK1MAPK6MKNK1
SCHEMBL4324649 0.78 MAP2K4 (0.50) MAP2K4NTRK1MAPK1MAPK6MAPKAPK3
SCHEMBL4084327 0.78 MAP2K4 (0.76) MAP2K4NTRK1CSNK1DMAPK1MAPK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4178954-A1 SUBSTITUTED PYRROLIDINE AMINES AND AMIDES AS MEDIATOR OF THE GLUCOCORTOID RECEPTOR Grünenthal GmbH (DE) 2023-05-17 EP disclosed
WO-2022008705-A1 SUBSTITUTED PYRROLIDINE AMINES AND AMIDES AS MEDIATOR OF THE GLUCOCORTOID RECEPTOR Grünenthal GmbH (DE) 2022-01-13 WO disclosed
EP-3728233-A1 SUBSTITUTED PYRROLIDINE AMIDES II Grünenthal GmbH (DE) 2020-10-28 EP disclosed
EP-2726464-A1 CRYSTALLINE FORM OF INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS Astrazeneca AB (SE) 2014-05-07 EP disclosed
WO-2013001294-A1 CRYSTALLINE FORM OF INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2013-01-03 WO disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed