SCHEMBL6962798

SCHEMBL6962798

OCCCc1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.47
GCGR P47871 2/20 0.46
RIPK3 Q9Y572 2/20 0.42
MAP4K4 O95819 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
EGFR P00533 1/20 0.39

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
SCHEMBL6246309 0.86 MAPK14 (0.50) MAPK14GCGRMAPK9MAPK13MAPK12
SCHEMBL6953493 0.85 MAPK14 (0.64) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL27627757 0.80 MAPK14 (0.45) MAPK14GCGR
SCHEMBL27627756 0.80 MAPK14 (0.45) MAPK14GCGR
SCHEMBL6963552 0.80 MAPK14 (0.39) MAPK14GCGRMAPK9CSNK1A1CSNK1D
SCHEMBL6963796 0.79 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6956938 0.79 MAPK14 (0.49) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5849797 0.78 MAPK14 (0.49) MAPK14GCGRRIPK3MAPK9MAPK13
SCHEMBL6371399 0.78 MAPK14 (0.43) MAPK14GCGRMAPK9MAPK13MAPK12
SCHEMBL5850335 0.76 MAPK14 (0.65) MAPK14GCGRMAPK9MAPK13MAPK12

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
CN-1210273-C Substituted 3-pyridyl-4-arylpyrroles and methods of treatment and prevention of related diseases ORTHO MCNEIL PHARM INC (US) 2005-07-13 CN disclosed
EP-1178981-B1 SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ORTHO MCNEIL PHARM INC (US) 2003-06-25 EP disclosed
US-6562843-B1 For treating disorders ameliorated by a reduction in TNF-alpha production and/or p38 activity, and are therefore useful for treating inflammatory disorders such as rheumatoid arthritis, as well as AIDS-related disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US disclosed
CN-1361773-A Substituted 3-pyridyl-4-arylpyrroles and methods of treatment and prevention of related diseases ORTHO MCNEIL PHARM INC (US) 2002-07-31 CN disclosed