SCHEMBL8464794

SCHEMBL8464794

CCOC(=O)c1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.82
MAPK14 Q16539 4/20 0.82

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
SCHEMBL8464797 0.84 GCGR (0.60) GCGRMAPK14
SCHEMBL8326739 0.83 GCGR (0.81) GCGRMAPK14
SCHEMBL4183471 0.82 GCGR (0.78) GCGRMAPK14
SCHEMBL27980626 0.80 EGFR (0.58) GCGRMAPK14
SCHEMBL4182065 0.77 GCGR (0.86) GCGRMAPK14
SCHEMBL8325951 0.77 GCGR (0.74) GCGRMAPK14
SCHEMBL2796792 0.76 CA12 (0.59) GCGRMAPK14
SCHEMBL14422899 0.76 CYP46A1 (0.53) GCGRMAPK14
SCHEMBL8322278 0.74 GCGR (0.77) GCGRMAPK14
SCHEMBL3344995 0.74 TUBB4A (0.53) GCGRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871444-A4 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 1999-01-13 EP disclosed
US-5837719-A USEFUL FOR TREATING CYTOKINE MEDIATED DISEASES, INFLAMMATION,SHOCK, ARTHRITIS, RESPIRATORY DISORDERS, THROMBOSIS, VIRAL INFECTION, GASTROINTESTINAL DISORDERS MERCK & CO., INC. (US) 1998-11-17 US disclosed
EP-0871444-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-10-21 EP disclosed
WO-1997005878-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO disclosed