SCHEMBL6176503

SCHEMBL6176503

CN(C(=O)Cc1ccccc1)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CCO

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.43
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
PTGS2 P35354 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
GSK3B P49841 1/20 0.40
ALOX5 P09917 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
SCHEMBL6178749 0.93 MAPK14 (0.51) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6177590 0.90 MAPK14 (0.50) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL4336481 0.89 MAPK14 (0.57) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL7133840 0.89 MAPK14 (0.48) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6179013 0.84 MAPK14 (0.53) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6176784 0.84 MAPK14 (0.53) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6175734 0.81 MAPK14 (0.48) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL13784693 0.80 MAPK14 (0.54) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6177687 0.80 MAPK14 (0.49) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6179804 0.80 MAPK14 (0.63) MAPK14PTGDR2SRCBRAFKDR

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