SCHEMBL6178461

SCHEMBL6178461

CC(C)(C)OC(=O)CCC(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.62
GSK3B P49841 5/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
CYP1A2 P05177 3/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37

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
SCHEMBL6176847 0.86 MAPK14 (0.69) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6176222 0.85 MAPK14 (0.61) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6177360 0.83 MAPK14 (0.69) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL7137877 0.83 MAPK14 (0.71) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6176101 0.83 MAPK14 (0.67) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6178169 0.83 MAPK14 (0.67) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6177151 0.82 MAPK14 (0.70) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6177992 0.82 MAPK14 (0.73) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL7140075 0.82 MAPK14 (0.70) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6178365 0.82 MAPK14 (0.72) MAPK14GSK3BMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1326848-C Aminopyrazole derivatives TEIKOKU HORMONE MFG CO LTD (JP) 2007-07-18 CN disclosed
EP-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
CN-1331688-A Aminopyridine Derivatives TEIKOKU HORMONE MFG CO LTD (JP) 2002-01-16 CN disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed