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SCHEMBL2662945

SCHEMBL2662945

Clc1ccc(-c2cc(-c3ccc(Br)cc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 12/20 1.00
▸ MAPK14 Q16539 11/20 1.00
▸ KDM4E B2RXH2 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ HPGD P15428 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65

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
SCHEMBL2646773 0.93 GCGR (1.00) GCGRMAPK14
SCHEMBL2645507 0.87 GCGR (0.88) GCGRMAPK14
SCHEMBL2662940 0.86 GCGR (0.97) GCGRMAPK14
SCHEMBL2662867 0.84 GCGR (0.73) GCGRMAPK14KDM4EALDH1A1CYP3A4
SCHEMBL15070423 0.80 MAPK14 (0.78) GCGRMAPK14
SCHEMBL29691553 0.80 GCGR (1.00) GCGRMAPK14KDM4EALDH1A1CYP3A4
SCHEMBL6362882 0.80 GCGR (1.00) GCGRMAPK14KDM4EALDH1A1CYP3A4
SCHEMBL28643906 0.79 GCGR (0.68) GCGRMAPK14KDM4EALDH1A1CYP3A4
SCHEMBL2662559 0.77 GCGR (1.00) GCGRMAPK14
SCHEMBL28912040 0.77 GCGR (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997016442-A1 SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-05-09 — — WO disclosed