SCHEMBL6177360

SCHEMBL6177360

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

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.69
GSK3B P49841 4/20 0.43
CDC7 O00311 1/20 0.42
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6177992 0.90 MAPK14 (0.73) MAPK14GSK3BCDC7MAPK13MAPK12
SCHEMBL6176847 0.89 MAPK14 (0.69) MAPK14GSK3BCDC7MAPK13MAPK12
SCHEMBL7137877 0.89 MAPK14 (0.71) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6176101 0.88 MAPK14 (0.67) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL7140075 0.88 MAPK14 (0.70) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL7138375 0.86 MAPK14 (0.74) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6177919 0.86 MAPK14 (0.74) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6076504 0.86 MAPK14 (0.67) MAPK14GSK3BCDC7MAPK13MAPK12
SCHEMBL6178169 0.86 MAPK14 (0.67) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL7138257 0.85 MAPK14 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed