SCHEMBL6177501

SCHEMBL6177501

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.63
MAPK13 O15264 4/20 0.46
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
BRAF P15056 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.39
GCGR P47871 1/20 0.39
CDC7 O00311 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
SCHEMBL6177199 0.89 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6176536 0.87 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6180300 0.86 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6076824 0.84 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7141123 0.84 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6076504 0.84 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11CDC7
SCHEMBL6178365 0.83 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL6176087 0.83 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7139723 0.83 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL7141128 0.82 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11ALOX5

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