SCHEMBL6178511

SCHEMBL6178511

O=C(CCC(=O)OCc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.72
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3B P49841 3/20 0.41
GCGR P47871 1/20 0.39
MGLL Q99685 1/20 0.39
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38

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
SCHEMBL27565189 0.93 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6175294 0.86 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL6177123 0.85 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6177800 0.84 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL7138257 0.84 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL6177992 0.82 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6178461 0.82 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6176847 0.81 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6177360 0.81 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL7137877 0.81 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GSK3B

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