SCHEMBL2648992

SCHEMBL2648992

Fc1ccc(-c2nc(-c3cc(Br)cs3)[nH]c2-c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 1.00
MAPK13 O15264 15/20 1.00
GCGR P47871 15/20 1.00
MAPK12 P53778 15/20 1.00
MAPK11 Q15759 15/20 1.00
CSNK1D P48730 4/20 0.67
PRKD3 O94806 2/20 0.67
MAP4K4 O95819 2/20 0.67
FRK P42685 2/20 0.67
MAPK9 P45984 2/20 0.67
CSNK1A1 P48729 2/20 0.67
GSK3B P49841 2/20 0.67
PTK6 Q13882 2/20 0.67
CLK4 Q9HAZ1 2/20 0.67
PRKD2 Q9BZL6 1/20 0.67
ALOX5 P09917 4/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61

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
SCHEMBL4553347 0.86 MAPK14 (0.76) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL6606327 0.83 MAPK13 (0.71) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL2648930 0.83 MAPK13 (1.00) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL2649632 0.82 MAPK14 (1.00) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL6448187 0.82 MAPT (0.90) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL19868925 0.81 MAPK11 (1.00) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL15075603 0.81 MAPK11 (1.00) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL2649482 0.80 MAPK14 (1.00) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL2648968 0.79 MAPK14 (0.72) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL5698702 0.78 ALOX5 (0.74) MAPK14MAPK13GCGRMAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959885-A4 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO INC (US) 2002-07-17 EP claimed
EP-0959885-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE Merck & Co., Inc. (US) 1999-12-01 EP claimed
WO-1998022108-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO claimed
EP-0959885-A4 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO INC (US) 2002-07-17 EP disclosed
EP-0959885-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE Merck & Co., Inc. (US) 1999-12-01 EP disclosed
WO-1998022108-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO disclosed